ethyl 2-chloranyl-4-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-4-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]benzoate Openeye Name: ethyl 2-chloro-4-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]benzoate CAS Name: 2-chloro-4-[[2-[(3,4-dimethoxyphenyl)thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-4-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]benzoate Traditional Name: 2-chloro-4-[2-[(3,4-dimethoxyphenyl)thio]propanoylamino]benzoic acid ethyl ester Formula: C20H22ClNO5S MolecularWeight: 423.91038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)NC(=O)C(C)SC2=CC(=C(C=C2)OC)OC)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)NC(=O)C(C)SC2=CC(=C(C=C2)OC)OC)Cl

InChI

InChI=1S/C20H22ClNO5S/c1-5-27-20(24)15-8-6-13(10-16(15)21)22-19(23)12(2)28-14-7-9-17(25-3)18(11-14)26-4/h6-12H,5H2,1-4H3,(H,22,23)