methyl 5-chloranyl-2-[(E)-3-methyl-3-[4-methyl-5-(4-methylphenyl)-2-oxidanyl-thiophen-3-yl]but-1-enyl]benzoate

Systemtic Name: methyl 5-chloranyl-2-[(E)-3-methyl-3-[4-methyl-5-(4-methylphenyl)-2-oxidanyl-thiophen-3-yl]but-1-enyl]benzoate Openeye Name: methyl 5-chloro-2-[(E)-3-[2-hydroxy-4-methyl-5-(p-tolyl)-3-thienyl]-3-methyl-but-1-enyl]benzoate CAS Name: 5-chloro-2-[(E)-3-[2-hydroxy-4-methyl-5-(4-methylphenyl)-3-thiophenyl]-3-methylbut-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 5-chloro-2-[(E)-3-[2-hydroxy-4-methyl-5-(4-methylphenyl)thiophen-3-yl]-3-methylbut-1-enyl]benzoate Traditional Name: 5-chloro-2-[(E)-3-[2-hydroxy-4-methyl-5-(p-tolyl)-3-thienyl]-3-methyl-but-1-enyl]benzoic acid methyl ester Formula: C25H25ClO3S MolecularWeight: 440.9822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C(S2)O)C(C)(C)C=CC3=C(C=C(C=C3)Cl)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C(S2)O)C(C)(C)/C=C/C3=C(C=C(C=C3)Cl)C(=O)OC)C

InChI

InChI=1S/C25H25ClO3S/c1-15-6-8-18(9-7-15)22-16(2)21(24(28)30-22)25(3,4)13-12-17-10-11-19(26)14-20(17)23(27)29-5/h6-14,28H,1-5H3/b13-12+