methyl 2-[3-[(4-aminophenyl)amino]-3-oxidanylidene-propyl]sulfanylethanoate

Systemtic Name: methyl 2-[3-[(4-aminophenyl)amino]-3-oxidanylidene-propyl]sulfanylethanoate Openeye Name: methyl 2-[3-(4-aminoanilino)-3-oxo-propyl]sulfanylacetate CAS Name: 2-[[3-(4-aminoanilino)-3-oxopropyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-(4-aminoanilino)-3-oxopropyl]sulfanylacetate Traditional Name: 2-[[3-(4-aminoanilino)-3-keto-propyl]thio]acetic acid methyl ester Formula: C12H16N2O3S MolecularWeight: 268.33204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCCC(=O)NC1=CC=C(C=C1)N

Isomeric SMILES

COC(=O)CSCCC(=O)NC1=CC=C(C=C1)N

InChI

InChI=1S/C12H16N2O3S/c1-17-12(16)8-18-7-6-11(15)14-10-4-2-9(13)3-5-10/h2-5H,6-8,13H2,1H3,(H,14,15)