methyl 3-(phenylmethylsulfanyl)-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanoate

Systemtic Name: methyl 3-(phenylmethylsulfanyl)-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanoate Openeye Name: methyl 3-benzylsulfanyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanoate CAS Name: 2-[[oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propionic acid methyl ester Formula: C14H16N4O3S3 MolecularWeight: 384.49684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)NC(=O)NC2=NNC(=S)S2

Isomeric SMILES

COC(=O)C(CSCC1=CC=CC=C1)NC(=O)NC2=NNC(=S)S2

InChI

InChI=1S/C14H16N4O3S3/c1-21-11(19)10(8-23-7-9-5-3-2-4-6-9)15-12(20)16-13-17-18-14(22)24-13/h2-6,10H,7-8H2,1H3,(H,18,22)(H2,15,16,17,20)