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

Systemtic Name: ethyl 2-(3,4-dihydro-2H-quinolin-1-ylcarbothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H26N2O2S2 MolecularWeight: 414.58404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O2S2/c1-2-26-21(25)19-16-11-4-3-5-13-18(16)28-20(19)23-22(27)24-14-8-10-15-9-6-7-12-17(15)24/h6-7,9,12H,2-5,8,10-11,13-14H2,1H3,(H,23,27)