methyl 2-(3,4-dimethoxyphenyl)-4,5-bis(oxidanylidene)-1-(2-phenylsulfanylethyl)pyrrole-3-carboxylate

Systemtic Name: methyl 2-(3,4-dimethoxyphenyl)-4,5-bis(oxidanylidene)-1-(2-phenylsulfanylethyl)pyrrole-3-carboxylate Openeye Name: methyl 2-(3,4-dimethoxyphenyl)-4,5-dioxo-1-(2-phenylsulfanylethyl)pyrrole-3-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4,5-dioxo-1-[2-(phenylthio)ethyl]-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 2-(3,4-dimethoxyphenyl)-4,5-dioxo-1-(2-phenylsulfanylethyl)pyrrole-3-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)-4,5-diketo-1-[2-(phenylthio)ethyl]-2-pyrroline-3-carboxylic acid methyl ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=O)C(=O)N2CCSC3=CC=CC=C3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=O)C(=O)N2CCSC3=CC=CC=C3)C(=O)OC)OC

InChI

InChI=1S/C22H21NO6S/c1-27-16-10-9-14(13-17(16)28-2)19-18(22(26)29-3)20(24)21(25)23(19)11-12-30-15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3