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

Systemtic Name: diethyl 2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: diethyl 2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thienyl)carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(3-ethoxycarbonyl-5-methyl-4-phenylthiophen-2-yl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(3-carbethoxy-5-methyl-4-phenyl-2-thienyl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid diethyl ester Formula: C27H28N2O6S2 MolecularWeight: 540.65102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O6S2/c1-5-33-24(30)18-13-14-19(25(31)34-6-2)20(15-18)28-27(36)29-23-22(26(32)35-7-3)21(16(4)37-23)17-11-9-8-10-12-17/h8-15H,5-7H2,1-4H3,(H2,28,29,36)