(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl 2-azanyl-3-(4-methoxyphenyl)propanoate

Systemtic Name: (2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl 2-azanyl-3-(4-methoxyphenyl)propanoate Openeye Name: (2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl 2-amino-3-(4-methoxyphenyl)propanoate CAS Name: 2-amino-3-(4-methoxyphenyl)propanoic acid [oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl] ester IUPAC Name: (2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl 2-amino-3-(4-methoxyphenyl)propanoate Traditional Name: 2-amino-3-(4-methoxyphenyl)propionic acid (2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl ester Formula: C13H14N4O4S2 MolecularWeight: 354.40466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)OC(=O)NC2=NNC(=S)S2)N

Isomeric SMILES

COC1=CC=C(C=C1)CC(C(=O)OC(=O)NC2=NNC(=S)S2)N

InChI

InChI=1S/C13H14N4O4S2/c1-20-8-4-2-7(3-5-8)6-9(14)10(18)21-12(19)15-11-16-17-13(22)23-11/h2-5,9H,6,14H2,1H3,(H,17,22)(H,15,16,19)