dimethyl 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C22H24N2O6S2 MolecularWeight: 476.56576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H24N2O6S2/c1-4-30-21(27)17-14-7-5-6-8-16(14)32-18(17)24-22(31)23-15-11-12(19(25)28-2)9-10-13(15)20(26)29-3/h9-11H,4-8H2,1-3H3,(H2,23,24,31)