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

Systemtic Name: [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-ethylsulfanylbenzoate Openeye Name: [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxo-ethyl] 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic 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] 2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OCC(=O)NC2=C(C3=C(S2)CCC3)C#N

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)OCC(=O)NC2=C(C3=C(S2)CCC3)C#N

InChI

InChI=1S/C19H18N2O3S2/c1-2-25-15-8-4-3-6-13(15)19(23)24-11-17(22)21-18-14(10-20)12-7-5-9-16(12)26-18/h3-4,6,8H,2,5,7,9,11H2,1H3,(H,21,22)