[2-(diphenethylamino)-2-oxidanylidene-ethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate

Systemtic Name: [2-(diphenethylamino)-2-oxidanylidene-ethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Openeye Name: [2-(diphenethylamino)-2-oxo-ethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate CAS Name: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid [2-(diphenethylamino)-2-oxoethyl] ester IUPAC Name: [2-(diphenethylamino)-2-oxoethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Traditional Name: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid [2-(diphenethylamino)-2-keto-ethyl] ester Formula: C28H31NO3S MolecularWeight: 461.61564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2)C(=O)OCC(=O)N(CCC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2)C(=O)OCC(=O)N(CCC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C28H31NO3S/c30-27(21-32-28(31)26-20-24-14-8-3-9-15-25(24)33-26)29(18-16-22-10-4-1-5-11-22)19-17-23-12-6-2-7-13-23/h1-2,4-7,10-13,20H,3,8-9,14-19,21H2