methyl 4-chloranyl-3-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]benzoate CAS Name: 4-chloro-3-[[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]benzoate Traditional Name: 4-chloro-3-[3-[(3,4-dimethylphenyl)thio]propanoylamino]benzoic acid methyl ester Formula: C19H20ClNO3S MolecularWeight: 377.885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)C

InChI

InChI=1S/C19H20ClNO3S/c1-12-4-6-15(10-13(12)2)25-9-8-18(22)21-17-11-14(19(23)24-3)5-7-16(17)20/h4-7,10-11H,8-9H2,1-3H3,(H,21,22)