methyl (2E)-4-chloranyl-2-[(4-methylphenyl)-thiophen-2-yl-methylidene]-4-oxidanylidene-butanoate

Systemtic Name: methyl (2E)-4-chloranyl-2-[(4-methylphenyl)-thiophen-2-yl-methylidene]-4-oxidanylidene-butanoate Openeye Name: methyl (2E)-4-chloro-4-oxo-2-[p-tolyl(2-thienyl)methylene]butanoate CAS Name: (2E)-4-chloro-2-[(4-methylphenyl)-thiophen-2-ylmethylidene]-4-oxobutanoic acid methyl ester IUPAC Name: methyl (2E)-4-chloro-2-[(4-methylphenyl)-thiophen-2-ylmethylidene]-4-oxobutanoate Traditional Name: (E)-2-(2-chloro-2-keto-ethyl)-3-(p-tolyl)-3-(2-thienyl)acrylic acid methyl ester Formula: C17H15ClO3S MolecularWeight: 334.8172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClO3S/c1-11-5-7-12(8-6-11)16(14-4-3-9-22-14)13(10-15(18)19)17(20)21-2/h3-9H,10H2,1-2H3/b16-13+