methyl 2-(3,4-dihydro-2H-quinolin-1-ylcarbothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-(3,4-dihydro-2H-quinolin-1-ylcarbothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(3,4-dihydro-2H-quinoline-1-carbothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[3,4-dihydro-2H-quinolin-1-yl(sulfanylidene)methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydro-2H-quinoline-1-carbothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(3,4-dihydro-2H-quinoline-1-carbothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C21H24N2O2S2 MolecularWeight: 400.55746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)N3CCCC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C21H24N2O2S2/c1-25-20(24)18-15-10-3-2-4-12-17(15)27-19(18)22-21(26)23-13-7-9-14-8-5-6-11-16(14)23/h5-6,8,11H,2-4,7,9-10,12-13H2,1H3,(H,22,26)