methyl 3-chloranyl-6-[(3,4-dimethoxyphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(3,4-dimethoxyphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(3,4-dimethoxyphenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(3,4-dimethoxyanilino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(3,4-dimethoxyphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(3,4-dimethoxyphenyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C19H17ClN2O4S2 MolecularWeight: 436.93228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O4S2/c1-24-13-7-5-10(8-14(13)25-2)21-19(27)22-11-4-6-12-15(9-11)28-17(16(12)20)18(23)26-3/h4-9H,1-3H3,(H2,21,22,27)