methyl 3-chloranyl-6-[(2-methoxyphenyl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(2-methoxyphenyl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(2-methoxyphenyl)methylcarbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(2-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(2-methoxyphenyl)methylcarbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(o-anisylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C19H17ClN2O3S2 MolecularWeight: 420.93288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

COC1=CC=CC=C1CNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C19H17ClN2O3S2/c1-24-14-6-4-3-5-11(14)10-21-19(26)22-12-7-8-13-15(9-12)27-17(16(13)20)18(23)25-2/h3-9H,10H2,1-2H3,(H2,21,22,26)