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

Systemtic Name: (2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl 2-azanyl-3-phenylmethoxy-propanoate Openeye Name: (2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl 2-amino-3-benzyloxy-propanoate CAS Name: 2-amino-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-amino-3-phenylmethoxypropanoate Traditional Name: 2-amino-3-benzoxy-propionic acid (2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl ester Formula: C13H14N4O4S2 MolecularWeight: 354.40466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O4S2/c14-9(7-20-6-8-4-2-1-3-5-8)10(18)21-12(19)15-11-16-17-13(22)23-11/h1-5,9H,6-7,14H2,(H,17,22)(H,15,16,19)