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

Systemtic Name: diethyl 5-[(3-chloranyl-2-methoxycarbonyl-1-benzothiophen-6-yl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C23H21ClN2O6S2 MolecularWeight: 521.00564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN2O6S2/c1-4-31-20(27)12-8-13(21(28)32-5-2)10-15(9-12)26-23(33)25-14-6-7-16-17(11-14)34-19(18(16)24)22(29)30-3/h6-11H,4-5H2,1-3H3,(H2,25,26,33)