AC1NSZOO

(E)-4-oxo-4-[(3-propan-2-yloxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]but-2-enoic acid

Also Known As: CBMicro_016988|BIM-0017215.P001|SR-01000217701-1|4-{[3-(isopropoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl]amino}-4-oxo-2-butenoic acid|(2E)-4-oxo-4-({3-[(propan-2-yloxy)carbonyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl}amino)but-2-enoic acid|(E)-4-oxo-4-[(3-propan-2-yloxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]but-2-enoic acid|(2E)-3-(N-{3-[(methylethyl)oxycarbonyl](4,5,6,7,8-pentahydrocyclohepta[2,1-d]t hiophen-2-yl)}carbamoyl)prop-2-enoic acid|(2E)-4-Oxo-4-[(3-{[(propan-2-yl)oxy]carbonyl}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]but-2-enoic acid

Molecular Formula	C17H21NO5S
Molecular Weight	351.11404 g/mol
LogP	3.1615
Topological Polar Surface Area	92.7 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	351.11404
Monoisotopic Mass	351.11404
Heavy Atoms	24
Complexity	674.7659

Chemical Identifiers

CAS Number	5703-35-5
SMILES	CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)/C=C/C(=O)O