ethyl 3-[4-chloranyl-5-methyl-2-(2-methylphenyl)carbonyl-phenyl]sulfanyl-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[4-chloranyl-5-methyl-2-(2-methylphenyl)carbonyl-phenyl]sulfanyl-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[4-chloro-5-methyl-2-(2-methylbenzoyl)phenyl]sulfanyl-3-oxo-propanoate CAS Name: 3-[[4-chloro-5-methyl-2-[(2-methylphenyl)-oxomethyl]phenyl]thio]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[4-chloro-5-methyl-2-(2-methylbenzoyl)phenyl]sulfanyl-3-oxopropanoate Traditional Name: 3-[(4-chloro-5-methyl-2-o-toluoyl-phenyl)thio]-3-keto-propionic acid ethyl ester Formula: C20H19ClO4S MolecularWeight: 390.88046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)SC1=CC(=C(C=C1C(=O)C2=CC=CC=C2C)Cl)C

Isomeric SMILES

CCOC(=O)CC(=O)SC1=CC(=C(C=C1C(=O)C2=CC=CC=C2C)Cl)C

InChI

InChI=1S/C20H19ClO4S/c1-4-25-18(22)11-19(23)26-17-9-13(3)16(21)10-15(17)20(24)14-8-6-5-7-12(14)2/h5-10H,4,11H2,1-3H3