methyl 3-[3-(4-chlorophenyl)sulfanylpropanoylamino]-2-methyl-benzoate

Systemtic Name: methyl 3-[3-(4-chlorophenyl)sulfanylpropanoylamino]-2-methyl-benzoate Openeye Name: methyl 3-[3-(4-chlorophenyl)sulfanylpropanoylamino]-2-methyl-benzoate CAS Name: 3-[[3-[(4-chlorophenyl)thio]-1-oxopropyl]amino]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[3-(4-chlorophenyl)sulfanylpropanoylamino]-2-methylbenzoate Traditional Name: 3-[3-[(4-chlorophenyl)thio]propanoylamino]-2-methyl-benzoic acid methyl ester Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CCSC2=CC=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CCSC2=CC=C(C=C2)Cl)C(=O)OC

InChI

InChI=1S/C18H18ClNO3S/c1-12-15(18(22)23-2)4-3-5-16(12)20-17(21)10-11-24-14-8-6-13(19)7-9-14/h3-9H,10-11H2,1-2H3,(H,20,21)