methyl 2-[2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]ethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]acetate Traditional Name: 2-[[2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]acetic acid methyl ester Formula: C13H13N3O3S3 MolecularWeight: 355.45562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CSC1=NN(C(=S)S1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CNC(=O)CSC1=NN(C(=S)S1)C2=CC=CC=C2

InChI

InChI=1S/C13H13N3O3S3/c1-19-11(18)7-14-10(17)8-21-12-15-16(13(20)22-12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,14,17)