AC1LW930

[2-methoxy-4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-nitrobenzoate

Also Known As: BAS 00520749|BIM-0000327.P001|AG-690/11303037|4-[(3-allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 4-nitrobenzoate|[2-methoxy-4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-nitrobenzoate|(E)-4-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-nitrobenzoate|2-methoxy-4-[(4-oxo-3-prop-2-enyl-2-thioxo(1,3-thiazolidin-5-ylidene))methyl]p henyl 4-nitrobenzoate|2-methoxy-4-{(E)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-nitrobenzoate|2-METHOXY-4-{[(5E)-4-OXO-3-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}PHENYL 4-NITROBENZOATE

Molecular Formula	C21H16N2O6S2
Molecular Weight	456.04498 g/mol
LogP	4.2098
Topological Polar Surface Area	98.98 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	456.04498
Monoisotopic Mass	456.04498
Heavy Atoms	31
Complexity	1111.353

Chemical Identifiers

CAS Number	309936-06-9
SMILES	COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC=C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]