diethyl 3-methyl-5-[2-[[5-[(3,4,5-trimethoxyphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-[[5-[(3,4,5-trimethoxyphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[2-[[5-[(3,4,5-trimethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[[5-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]propyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[2-[[5-[(3,4,5-trimethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[2-[[5-[(3,4,5-trimethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]thio]propanoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C26H30N4O9S3 MolecularWeight: 638.7328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)SC2=NN=C(S2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)SC2=NN=C(S2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C26H30N4O9S3/c1-8-38-23(33)17-12(3)19(24(34)39-9-2)41-22(17)27-20(31)13(4)40-26-30-29-25(42-26)28-21(32)14-10-15(35-5)18(37-7)16(11-14)36-6/h10-11,13H,8-9H2,1-7H3,(H,27,31)(H,28,29,32)