ethyl 4-[4-[(2-methylphenyl)carbonylamino]phenyl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[4-[(2-methylphenyl)carbonylamino]phenyl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-[(2-methylbenzoyl)amino]phenyl]sulfanyl-3-oxo-butanoate CAS Name: 4-[[4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2-methylbenzoyl)amino]phenyl]sulfanyl-3-oxobutanoate Traditional Name: 3-keto-4-[[4-(o-toluoylamino)phenyl]thio]butyric acid ethyl ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C

InChI

InChI=1S/C20H21NO4S/c1-3-25-19(23)12-16(22)13-26-17-10-8-15(9-11-17)21-20(24)18-7-5-4-6-14(18)2/h4-11H,3,12-13H2,1-2H3,(H,21,24)