methyl 4-azanyl-3-(2-ethoxy-1-methylsulfanyl-2-oxidanylidene-ethyl)benzoate

Systemtic Name: methyl 4-azanyl-3-(2-ethoxy-1-methylsulfanyl-2-oxidanylidene-ethyl)benzoate Openeye Name: methyl 4-amino-3-(2-ethoxy-1-methylsulfanyl-2-oxo-ethyl)benzoate CAS Name: 4-amino-3-[2-ethoxy-1-(methylthio)-2-oxoethyl]benzoic acid methyl ester IUPAC Name: methyl 4-amino-3-(2-ethoxy-1-methylsulfanyl-2-oxoethyl)benzoate Traditional Name: 4-amino-3-[2-ethoxy-2-keto-1-(methylthio)ethyl]benzoic acid methyl ester Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C=CC(=C1)C(=O)OC)N)SC

Isomeric SMILES

CCOC(=O)C(C1=C(C=CC(=C1)C(=O)OC)N)SC

InChI

InChI=1S/C13H17NO4S/c1-4-18-13(16)11(19-3)9-7-8(12(15)17-2)5-6-10(9)14/h5-7,11H,4,14H2,1-3H3