methyl 4-azanyl-3-(2-azanyl-2-oxidanylidene-1-phenylsulfanyl-ethyl)benzoate

Systemtic Name: methyl 4-azanyl-3-(2-azanyl-2-oxidanylidene-1-phenylsulfanyl-ethyl)benzoate Openeye Name: methyl 4-amino-3-(2-amino-2-oxo-1-phenylsulfanyl-ethyl)benzoate CAS Name: 4-amino-3-[2-amino-2-oxo-1-(phenylthio)ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-amino-3-(2-amino-2-oxo-1-phenylsulfanylethyl)benzoate Traditional Name: 4-amino-3-[2-amino-2-keto-1-(phenylthio)ethyl]benzoic acid methyl ester Formula: C16H16N2O3S MolecularWeight: 316.37484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N)C(C(=O)N)SC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N)C(C(=O)N)SC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O3S/c1-21-16(20)10-7-8-13(17)12(9-10)14(15(18)19)22-11-5-3-2-4-6-11/h2-9,14H,17H2,1H3,(H2,18,19)