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

Systemtic Name: ethyl 2-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-(indan-5-ylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(2,3-dihydro-1H-inden-5-ylamino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(indan-5-ylthiocarbamoylamino)-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)NC3=CC4=C(CCC4)C=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C22H26N2O2S2/c1-2-26-21(25)19-17-9-4-3-5-10-18(17)28-20(19)24-22(27)23-16-12-11-14-7-6-8-15(14)13-16/h11-13H,2-10H2,1H3,(H2,23,24,27)