methyl 4-chloranyl-3-(2-propan-2-ylsulfanylethanoylamino)benzoate

Systemtic Name: methyl 4-chloranyl-3-(2-propan-2-ylsulfanylethanoylamino)benzoate Openeye Name: methyl 4-chloro-3-[(2-isopropylsulfanylacetyl)amino]benzoate CAS Name: 4-chloro-3-[[1-oxo-2-(propan-2-ylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(2-propan-2-ylsulfanylacetyl)amino]benzoate Traditional Name: 4-chloro-3-[[2-(isopropylthio)acetyl]amino]benzoic acid methyl ester Formula: C13H16ClNO3S MolecularWeight: 301.78904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl

Isomeric SMILES

CC(C)SCC(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl

InChI

InChI=1S/C13H16ClNO3S/c1-8(2)19-7-12(16)15-11-6-9(13(17)18-3)4-5-10(11)14/h4-6,8H,7H2,1-3H3,(H,15,16)