methyl 3-chloranyl-6-(2,3-dihydroindol-1-ylcarbothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-(2,3-dihydroindol-1-ylcarbothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(indoline-1-carbothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[2,3-dihydroindol-1-yl(sulfanylidene)methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(2,3-dihydroindole-1-carbothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(indoline-1-carbothioylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C19H15ClN2O2S2 MolecularWeight: 402.9176

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCC4=CC=CC=C43)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCC4=CC=CC=C43)Cl

InChI

InChI=1S/C19H15ClN2O2S2/c1-24-18(23)17-16(20)13-7-6-12(10-15(13)26-17)21-19(25)22-9-8-11-4-2-3-5-14(11)22/h2-7,10H,8-9H2,1H3,(H,21,25)