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

Systemtic Name: [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic 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] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCC3)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCC3)C#N

InChI

InChI=1S/C18H16N2O3S/c1-11-4-2-5-12(8-11)18(22)23-10-16(21)20-17-14(9-19)13-6-3-7-15(13)24-17/h2,4-5,8H,3,6-7,10H2,1H3,(H,20,21)