methyl 3-[2-[(4-aminophenyl)-methyl-amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[(4-aminophenyl)-methyl-amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(4-amino-N-methyl-anilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(4-amino-N-methylanilino)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-amino-N-methylanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(4-amino-N-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:

CN(C1=CC=C(C=C1)N)C(=O)CSCCC(=O)OC

Isomeric SMILES

CN(C1=CC=C(C=C1)N)C(=O)CSCCC(=O)OC

InChI

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