diethyl 5-[2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[[2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]ethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C22H21N3O5S3 MolecularWeight: 503.61424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5S3/c1-3-29-19(27)14-10-15(20(28)30-4-2)12-16(11-14)23-18(26)13-32-21-24-25(22(31)33-21)17-8-6-5-7-9-17/h5-12H,3-4,13H2,1-2H3,(H,23,26)