diethyl 5-[(3-methoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[(3-methoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(3-methoxycarbonyl-5-methyl-4-phenyl-2-thienyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[(3-methoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(3-methoxycarbonyl-5-methyl-4-phenylthiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-carbomethoxy-5-methyl-4-phenyl-2-thienyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C26H26N2O6S2 MolecularWeight: 526.62444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC)C(=O)OCC

InChI

InChI=1S/C26H26N2O6S2/c1-5-33-23(29)17-12-18(24(30)34-6-2)14-19(13-17)27-26(35)28-22-21(25(31)32-4)20(15(3)36-22)16-10-8-7-9-11-16/h7-14H,5-6H2,1-4H3,(H2,27,28,35)