methyl 4-chloranyl-3-[2-(3,4-dimethoxyphenyl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-(3,4-dimethoxyphenyl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-(3,4-dimethoxyphenyl)sulfanylacetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-[(3,4-dimethoxyphenyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-(3,4-dimethoxyphenyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-[(3,4-dimethoxyphenyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H18ClNO5S MolecularWeight: 395.85722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)OC

InChI

InChI=1S/C18H18ClNO5S/c1-23-15-7-5-12(9-16(15)24-2)26-10-17(21)20-14-8-11(18(22)25-3)4-6-13(14)19/h4-9H,10H2,1-3H3,(H,20,21)