methyl 2-[2-[(2-azanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-[(2-azanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-(2-amino-4-methyl-anilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(2-amino-4-methylanilino)-2-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-amino-4-methylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(2-amino-4-methyl-anilino)-2-keto-ethyl]thio]acetic acid methyl ester Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)OC)N

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)OC)N

InChI

InChI=1S/C12H16N2O3S/c1-8-3-4-10(9(13)5-8)14-11(15)6-18-7-12(16)17-2/h3-5H,6-7,13H2,1-2H3,(H,14,15)