methyl (Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methylsulfanylphenyl)-4-oxidanylidene-3-(phenylmethyl)but-2-enoate

Systemtic Name: methyl (Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methylsulfanylphenyl)-4-oxidanylidene-3-(phenylmethyl)but-2-enoate Openeye Name: methyl (Z)-2-(1,3-benzodioxol-5-yl)-3-benzyl-4-(4-methylsulfanylphenyl)-4-oxo-but-2-enoate CAS Name: (Z)-2-(1,3-benzodioxol-5-yl)-4-[4-(methylthio)phenyl]-4-oxo-3-(phenylmethyl)-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-2-(1,3-benzodioxol-5-yl)-3-benzyl-4-(4-methylsulfanylphenyl)-4-oxobut-2-enoate Traditional Name: (Z)-2-(1,3-benzodioxol-5-yl)-3-benzyl-4-keto-4-[4-(methylthio)phenyl]but-2-enoic acid methyl ester Formula: C26H22O5S MolecularWeight: 446.51488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)SC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)/C(=C(/CC1=CC=CC=C1)\C(=O)C2=CC=C(C=C2)SC)/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H22O5S/c1-29-26(28)24(19-10-13-22-23(15-19)31-16-30-22)21(14-17-6-4-3-5-7-17)25(27)18-8-11-20(32-2)12-9-18/h3-13,15H,14,16H2,1-2H3/b24-21-