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

Systemtic Name: (2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl 2-(methylamino)-3-phenylmethoxy-butanoate Openeye Name: (2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl 3-benzyloxy-2-(methylamino)butanoate CAS Name: 2-(methylamino)-3-phenylmethoxybutanoic 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-phenylmethoxybutanoate Traditional Name: 3-benzoxy-2-(methylamino)butyric acid (2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl ester Formula: C15H18N4O4S2 MolecularWeight: 382.45782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OC(=O)NC1=NNC(=S)S1)NC)OCC2=CC=CC=C2

Isomeric SMILES

CC(C(C(=O)OC(=O)NC1=NNC(=S)S1)NC)OCC2=CC=CC=C2

InChI

InChI=1S/C15H18N4O4S2/c1-9(22-8-10-6-4-3-5-7-10)11(16-2)12(20)23-14(21)17-13-18-19-15(24)25-13/h3-7,9,11,16H,8H2,1-2H3,(H,19,24)(H,17,18,21)