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

Systemtic Name: ethyl 4-[2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C19H17N3O3S3 MolecularWeight: 431.55158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN(C(=S)S2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN(C(=S)S2)C3=CC=CC=C3

InChI

InChI=1S/C19H17N3O3S3/c1-2-25-17(24)13-8-10-14(11-9-13)20-16(23)12-27-18-21-22(19(26)28-18)15-6-4-3-5-7-15/h3-11H,2,12H2,1H3,(H,20,23)