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

Systemtic Name: [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2,6-dimethoxybenzoate Openeye Name: [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxo-ethyl] 2,6-dimethoxybenzoate CAS Name: 2,6-dimethoxybenzoic 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] 2,6-dimethoxybenzoate Traditional Name: 2,6-dimethoxybenzoic acid [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)OCC(=O)NC2=C(C3=C(S2)CCC3)C#N

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)OCC(=O)NC2=C(C3=C(S2)CCC3)C#N

InChI

InChI=1S/C19H18N2O5S/c1-24-13-6-4-7-14(25-2)17(13)19(23)26-10-16(22)21-18-12(9-20)11-5-3-8-15(11)27-18/h4,6-7H,3,5,8,10H2,1-2H3,(H,21,22)