[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-(4-methylsulfanylphenyl)prop-2-enoate

Systemtic Name: [2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-oxo-ethyl] 3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: 3-[4-(methylthio)phenyl]-2-propenoic acid [2-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl] 3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: 3-[4-(methylthio)phenyl]acrylic acid [2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C=CC3=CC=C(C=C3)SC)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C=CC3=CC=C(C=C3)SC)C

InChI

InChI=1S/C25H25NO3S/c1-17-5-10-21(11-6-17)26-18(2)15-23(19(26)3)24(27)16-29-25(28)14-9-20-7-12-22(30-4)13-8-20/h5-15H,16H2,1-4H3