diethyl 5-[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-carbomethoxy-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C24H28N2O6S2 MolecularWeight: 504.61892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OC)C(=O)OCC

InChI

InChI=1S/C24H28N2O6S2/c1-5-31-21(27)14-10-15(22(28)32-6-2)12-16(11-14)25-24(33)26-20-19(23(29)30-4)17-8-7-13(3)9-18(17)34-20/h10-13H,5-9H2,1-4H3,(H2,25,26,33)