diethyl 5-azanyl-3-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H19N3O4S4 MolecularWeight: 481.63186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NN(C(=S)S2)C3=CC=CC=C3)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NN(C(=S)S2)C3=CC=CC=C3)C(=O)OCC)N

InChI

InChI=1S/C19H19N3O4S4/c1-3-25-16(23)13-12(14(29-15(13)20)17(24)26-4-2)10-28-18-21-22(19(27)30-18)11-8-6-5-7-9-11/h5-9H,3-4,10,20H2,1-2H3