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

Systemtic Name: (2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl 2-azanyl-3-(phenylmethylsulfanyl)propanoate Openeye Name: (2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl 2-amino-3-benzylsulfanyl-propanoate CAS Name: 2-amino-3-(phenylmethylthio)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-benzylsulfanylpropanoate Traditional Name: 2-amino-3-(benzylthio)propionic acid (2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl ester Formula: C13H14N4O3S3 MolecularWeight: 370.47026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3S3/c14-9(7-22-6-8-4-2-1-3-5-8)10(18)20-12(19)15-11-16-17-13(21)23-11/h1-5,9H,6-7,14H2,(H,17,21)(H,15,16,19)