methyl 2-[4-[(2-aminophenyl)amino]-4-oxidanylidene-butyl]sulfanylethanoate

Systemtic Name: methyl 2-[4-[(2-aminophenyl)amino]-4-oxidanylidene-butyl]sulfanylethanoate Openeye Name: methyl 2-[4-(2-aminoanilino)-4-oxo-butyl]sulfanylacetate CAS Name: 2-[[4-(2-aminoanilino)-4-oxobutyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-(2-aminoanilino)-4-oxobutyl]sulfanylacetate Traditional Name: 2-[[4-(2-aminoanilino)-4-keto-butyl]thio]acetic acid methyl ester Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCCCC(=O)NC1=CC=CC=C1N

Isomeric SMILES

COC(=O)CSCCCC(=O)NC1=CC=CC=C1N

InChI

InChI=1S/C13H18N2O3S/c1-18-13(17)9-19-8-4-7-12(16)15-11-6-3-2-5-10(11)14/h2-3,5-6H,4,7-9,14H2,1H3,(H,15,16)