methyl 3-chloranyl-6-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[3,4-dihydro-1H-isoquinolin-2-yl(sulfanylidene)methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C20H17ClN2O2S2 MolecularWeight: 416.94418

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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=C4C3)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCC4=CC=CC=C4C3)Cl

InChI

InChI=1S/C20H17ClN2O2S2/c1-25-19(24)18-17(21)15-7-6-14(10-16(15)27-18)22-20(26)23-9-8-12-4-2-3-5-13(12)11-23/h2-7,10H,8-9,11H2,1H3,(H,22,26)