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

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)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-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 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-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C20H23NO3S2 MolecularWeight: 389.53152

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2)C(=O)OCC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2)C(=O)OCC(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C20H23NO3S2/c22-19(21-11-12-25-16-8-4-2-5-9-16)14-24-20(23)18-13-15-7-3-1-6-10-17(15)26-18/h2,4-5,8-9,13H,1,3,6-7,10-12,14H2,(H,21,22)