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

Systemtic Name: (2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl 2-azanyl-3-phenylmethoxy-butanoate Openeye Name: (2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl 2-amino-3-benzyloxy-butanoate CAS Name: 2-amino-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-amino-3-phenylmethoxybutanoate Traditional Name: 2-amino-3-benzoxy-butyric 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:

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

Isomeric SMILES

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

InChI

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