[2-[[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 3-methylbenzoate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-(N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)anilino)-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-(N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)anilino)-2-oxoethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-(N-(1,1-diketo-2,3-dihydrothiophen-3-yl)anilino)-2-keto-ethyl] ester Formula: C20H19NO5S MolecularWeight: 385.43356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC(=O)N(C2CS(=O)(=O)C=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC(=O)N(C2CS(=O)(=O)C=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO5S/c1-15-6-5-7-16(12-15)20(23)26-13-19(22)21(17-8-3-2-4-9-17)18-10-11-27(24,25)14-18/h2-12,18H,13-14H2,1H3