methyl 3-chloranyl-6-[(2-methoxycarbonylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(2-methoxycarbonylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(2-methoxycarbonylphenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(2-methoxycarbonylanilino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(2-methoxycarbonylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 6-[(2-carbomethoxyphenyl)thiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C19H15ClN2O4S2 MolecularWeight: 434.9164

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C19H15ClN2O4S2/c1-25-17(23)11-5-3-4-6-13(11)22-19(27)21-10-7-8-12-14(9-10)28-16(15(12)20)18(24)26-2/h3-9H,1-2H3,(H2,21,22,27)