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

Systemtic Name: methyl 3-chloranyl-6-[(3-ethoxycarbonylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(3-ethoxycarbonylphenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(3-ethoxycarbonylanilino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(3-ethoxycarbonylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 6-[(3-carbethoxyphenyl)thiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C20H17ClN2O4S2 MolecularWeight: 448.94298

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O4S2/c1-3-27-18(24)11-5-4-6-12(9-11)22-20(28)23-13-7-8-14-15(10-13)29-17(16(14)21)19(25)26-2/h4-10H,3H2,1-2H3,(H2,22,23,28)