methyl 2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoyl-methyl-amino]benzoate

Systemtic Name: methyl 2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoyl-methyl-amino]benzoate Openeye Name: methyl 2-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoyl-methyl-amino]benzoate CAS Name: 2-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(2-amino-2-oxoethyl)sulfanylpropanoyl-methylamino]benzoate Traditional Name: 2-[3-[(2-amino-2-keto-ethyl)thio]propanoyl-methyl-amino]benzoic acid methyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C(=O)CCSCC(=O)N

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C(=O)CCSCC(=O)N

InChI

InChI=1S/C14H18N2O4S/c1-16(13(18)7-8-21-9-12(15)17)11-6-4-3-5-10(11)14(19)20-2/h3-6H,7-9H2,1-2H3,(H2,15,17)