(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl 2-(methylamino)-3-phenylmethoxy-propanoate

Systemtic Name: (2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl 2-(methylamino)-3-phenylmethoxy-propanoate Openeye Name: (2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl 3-benzyloxy-2-(methylamino)propanoate CAS Name: 2-(methylamino)-3-phenylmethoxypropanoic 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-(methylamino)-3-phenylmethoxypropanoate Traditional Name: 3-benzoxy-2-(methylamino)propionic acid (2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl ester Formula: C14H16N4O4S2 MolecularWeight: 368.43124

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Descriptors Computed from Structure

Canonical SMILES:

CNC(COCC1=CC=CC=C1)C(=O)OC(=O)NC2=NNC(=S)S2

Isomeric SMILES

CNC(COCC1=CC=CC=C1)C(=O)OC(=O)NC2=NNC(=S)S2

InChI

InChI=1S/C14H16N4O4S2/c1-15-10(8-21-7-9-5-3-2-4-6-9)11(19)22-13(20)16-12-17-18-14(23)24-12/h2-6,10,15H,7-8H2,1H3,(H,18,23)(H,16,17,20)