methyl 3-[2-(2-chloranyl-5-methylsulfanyl-phenyl)carbonyloxyethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-(2-chloranyl-5-methylsulfanyl-phenyl)carbonyloxyethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(2-chloro-5-methylsulfanyl-benzoyl)oxyacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[[2-chloro-5-(methylthio)phenyl]-oxomethoxy]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-chloro-5-methylsulfanylbenzoyl)oxyacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[2-chloro-5-(methylthio)benzoyl]oxyacetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C19H18ClNO5S MolecularWeight: 407.86792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl

InChI

InChI=1S/C19H18ClNO5S/c1-11-4-5-12(18(23)25-2)8-16(11)21-17(22)10-26-19(24)14-9-13(27-3)6-7-15(14)20/h4-9H,10H2,1-3H3,(H,21,22)