methyl 3-[2-[(3-azanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[(3-azanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(3-amino-2-methyl-anilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(3-amino-2-methylanilino)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3-amino-2-methylanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(3-amino-2-methyl-anilino)-2-keto-ethyl]thio]propionic acid methyl ester Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CSCCC(=O)OC)N

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CSCCC(=O)OC)N

InChI

InChI=1S/C13H18N2O3S/c1-9-10(14)4-3-5-11(9)15-12(16)8-19-7-6-13(17)18-2/h3-5H,6-8,14H2,1-2H3,(H,15,16)