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

Systemtic Name: [2-[(3-aminocarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-phenylbutanoate Openeye Name: [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxo-ethyl] 3-phenylbutanoate CAS Name: 3-phenylbutanoic acid [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-phenylbutanoate Traditional Name: 3-phenylbutyric acid [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC(=O)NC1=C(C2=C(S1)CCC2)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)OCC(=O)NC1=C(C2=C(S1)CCC2)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4S/c1-12(13-6-3-2-4-7-13)10-17(24)26-11-16(23)22-20-18(19(21)25)14-8-5-9-15(14)27-20/h2-4,6-7,12H,5,8-11H2,1H3,(H2,21,25)(H,22,23)