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

Systemtic Name: dimethyl 5-[(3-chloranyl-2-methoxycarbonyl-1-benzothiophen-6-yl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(3-chloro-2-methoxycarbonyl-benzothiophen-6-yl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[(3-chloro-2-methoxycarbonyl-1-benzothiophen-6-yl)amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3-chloro-2-methoxycarbonyl-1-benzothiophen-6-yl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-carbomethoxy-3-chloro-benzothiophen-6-yl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H17ClN2O6S2 MolecularWeight: 492.95248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C(=O)OC

InChI

InChI=1S/C21H17ClN2O6S2/c1-28-18(25)10-6-11(19(26)29-2)8-13(7-10)24-21(31)23-12-4-5-14-15(9-12)32-17(16(14)22)20(27)30-3/h4-9H,1-3H3,(H2,23,24,31)