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

Systemtic Name: methyl 2-(naphthalen-2-ylcarbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(naphthalene-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[2-naphthalenyl(oxo)methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(naphthalene-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(2-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=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC4=CC=CC=C4C=C3

InChI

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