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

Systemtic Name: [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-chloranyl-benzoate Openeye Name: [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxo-ethyl] 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic 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-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C17H12BrClN2O3S MolecularWeight: 439.71078

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrClN2O3S/c18-9-4-5-13(19)11(6-9)17(23)24-8-15(22)21-16-12(7-20)10-2-1-3-14(10)25-16/h4-6H,1-3,8H2,(H,21,22)