methyl 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-4,5-dimethoxy-benzoate CAS Name: 2-[[3-[(4-chlorophenyl)thio]-1-oxopropyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-4,5-dimethoxybenzoate Traditional Name: 2-[3-[(4-chlorophenyl)thio]propanoylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCSC2=CC=C(C=C2)Cl)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCSC2=CC=C(C=C2)Cl)OC

InChI

InChI=1S/C19H20ClNO5S/c1-24-16-10-14(19(23)26-3)15(11-17(16)25-2)21-18(22)8-9-27-13-6-4-12(20)5-7-13/h4-7,10-11H,8-9H2,1-3H3,(H,21,22)