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

Systemtic Name: dimethyl 2-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(3-methoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(3-carbomethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H22N2O6S2 MolecularWeight: 462.53918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC

InChI

InChI=1S/C21H22N2O6S2/c1-27-18(24)11-8-9-12(19(25)28-2)14(10-11)22-21(30)23-17-16(20(26)29-3)13-6-4-5-7-15(13)31-17/h8-10H,4-7H2,1-3H3,(H2,22,23,30)