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

Systemtic Name: methyl 2-(3,4-dimethoxyphenyl)-4,5-bis(oxidanylidene)-1-(3-phenylsulfanylpropyl)pyrrole-3-carboxylate Openeye Name: methyl 2-(3,4-dimethoxyphenyl)-4,5-dioxo-1-(3-phenylsulfanylpropyl)pyrrole-3-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4,5-dioxo-1-[3-(phenylthio)propyl]-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 2-(3,4-dimethoxyphenyl)-4,5-dioxo-1-(3-phenylsulfanylpropyl)pyrrole-3-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)-4,5-diketo-1-[3-(phenylthio)propyl]-2-pyrroline-3-carboxylic acid methyl ester Formula: C23H23NO6S MolecularWeight: 441.49682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=O)C(=O)N2CCCSC3=CC=CC=C3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=O)C(=O)N2CCCSC3=CC=CC=C3)C(=O)OC)OC

InChI

InChI=1S/C23H23NO6S/c1-28-17-11-10-15(14-18(17)29-2)20-19(23(27)30-3)21(25)22(26)24(20)12-7-13-31-16-8-5-4-6-9-16/h4-6,8-11,14H,7,12-13H2,1-3H3