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

Systemtic Name: methyl 2-(naphthalen-1-ylcarbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(naphthalene-1-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[1-naphthalenyl(oxo)methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(naphthalene-1-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(1-naphthoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H21NO3S/c1-26-22(25)19-17-11-3-2-4-13-18(17)27-21(19)23-20(24)16-12-7-9-14-8-5-6-10-15(14)16/h5-10,12H,2-4,11,13H2,1H3,(H,23,24)