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

Systemtic Name: [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-phenoxybenzoate Openeye Name: [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxo-ethyl] 4-phenoxybenzoate CAS Name: 4-phenoxybenzoic 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] 4-phenoxybenzoate Traditional Name: 4-phenoxybenzoic acid [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C23H18N2O4S MolecularWeight: 418.46502

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H18N2O4S/c24-13-19-18-7-4-8-20(18)30-22(19)25-21(26)14-28-23(27)15-9-11-17(12-10-15)29-16-5-2-1-3-6-16/h1-3,5-6,9-12H,4,7-8,14H2,(H,25,26)