[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxidanylidene-ethyl] 2-azanyl-5-chloranyl-benzoate

Systemtic Name: [2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxidanylidene-ethyl] 2-azanyl-5-chloranyl-benzoate Openeye Name: [2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxo-ethyl] 2-amino-5-chloro-benzoate CAS Name: 2-amino-5-chlorobenzoic acid [2-[methyl-[[4-(methylthio)phenyl]methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl] 2-amino-5-chlorobenzoate Traditional Name: 2-amino-5-chloro-benzoic acid [2-keto-2-[methyl-[4-(methylthio)benzyl]amino]ethyl] ester Formula: C18H19ClN2O3S MolecularWeight: 378.87306

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)COC(=O)C2=C(C=CC(=C2)Cl)N

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)COC(=O)C2=C(C=CC(=C2)Cl)N

InChI

InChI=1S/C18H19ClN2O3S/c1-21(10-12-3-6-14(25-2)7-4-12)17(22)11-24-18(23)15-9-13(19)5-8-16(15)20/h3-9H,10-11,20H2,1-2H3