diethyl 3-methyl-5-[[(2-oxidanyl-2,2-diphenyl-ethanoyl)amino]carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[[(2-oxidanyl-2,2-diphenyl-ethanoyl)amino]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[(2-hydroxy-2,2-diphenyl-acetyl)amino]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[(2-hydroxy-1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[(2-hydroxy-2,2-diphenylacetyl)amino]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(benziloylamino)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C26H27N3O6S2 MolecularWeight: 541.63908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NNC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NNC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C26H27N3O6S2/c1-4-34-22(30)19-16(3)20(23(31)35-5-2)37-21(19)27-25(36)29-28-24(32)26(33,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15,33H,4-5H2,1-3H3,(H,28,32)(H2,27,29,36)