ethyl 5-aminocarbonyl-4-methyl-2-[2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-4-methyl-2-[2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-4-methyl-2-[[2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[1-oxo-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-4-methyl-2-[[2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H18N4O4S4 MolecularWeight: 494.63062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CSC2=NN(C(=S)S2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CSC2=NN(C(=S)S2)C3=CC=CC=C3

InChI

InChI=1S/C19H18N4O4S4/c1-3-27-17(26)13-10(2)14(15(20)25)30-16(13)21-12(24)9-29-18-22-23(19(28)31-18)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H2,20,25)(H,21,24)