[2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C17H13BrN2O4S MolecularWeight: 421.26512

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1CC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C17H13BrN2O4S/c18-9-4-5-13(21)11(6-9)17(23)24-8-15(22)20-16-12(7-19)10-2-1-3-14(10)25-16/h4-6,21H,1-3,8H2,(H,20,22)