methyl 4-[4-(2-azanylethanoylamino)phenyl]sulfanylbenzoate

Systemtic Name: methyl 4-[4-(2-azanylethanoylamino)phenyl]sulfanylbenzoate Openeye Name: methyl 4-[4-[(2-aminoacetyl)amino]phenyl]sulfanylbenzoate CAS Name: 4-[[4-[(2-amino-1-oxoethyl)amino]phenyl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[(2-aminoacetyl)amino]phenyl]sulfanylbenzoate Traditional Name: 4-[[4-(glycylamino)phenyl]thio]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)SC2=CC=C(C=C2)NC(=O)CN

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)SC2=CC=C(C=C2)NC(=O)CN

InChI

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