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

Systemtic Name: methyl 5-chloranyl-2-[(E)-3-methyl-3-[2-(4-methylphenyl)carbonylthiophen-3-yl]but-1-enyl]benzoate Openeye Name: methyl 5-chloro-2-[(E)-3-methyl-3-[2-(4-methylbenzoyl)-3-thienyl]but-1-enyl]benzoate CAS Name: 5-chloro-2-[(E)-3-methyl-3-[2-[(4-methylphenyl)-oxomethyl]-3-thiophenyl]but-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 5-chloro-2-[(E)-3-methyl-3-[2-(4-methylbenzoyl)thiophen-3-yl]but-1-enyl]benzoate Traditional Name: 5-chloro-2-[(E)-3-methyl-3-(2-p-toluoyl-3-thienyl)but-1-enyl]benzoic acid methyl ester Formula: C25H23ClO3S MolecularWeight: 438.96632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C=CS2)C(C)(C)C=CC3=C(C=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C=CS2)C(C)(C)/C=C/C3=C(C=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C25H23ClO3S/c1-16-5-7-18(8-6-16)22(27)23-21(12-14-30-23)25(2,3)13-11-17-9-10-19(26)15-20(17)24(28)29-4/h5-15H,1-4H3/b13-11+