methyl 3-chloranyl-6-[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(4,5-dimethoxy-2-methoxycarbonylanilino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 6-[(2-carbomethoxy-4,5-dimethoxy-phenyl)thiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C21H19ClN2O6S2 MolecularWeight: 494.96836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)OC

InChI

InChI=1S/C21H19ClN2O6S2/c1-27-14-8-12(19(25)29-3)13(9-15(14)28-2)24-21(31)23-10-5-6-11-16(7-10)32-18(17(11)22)20(26)30-4/h5-9H,1-4H3,(H2,23,24,31)