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

Systemtic Name: methyl 4-[2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H15N3O3S3 MolecularWeight: 417.525

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O3S3/c1-24-16(23)12-7-9-13(10-8-12)19-15(22)11-26-17-20-21(18(25)27-17)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,19,22)