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

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]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-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]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-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1=CC2=C(S1)CCCCC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)COC(=O)C1=CC2=C(S1)CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO3S/c1-15(16-8-4-2-5-9-16)13-22-20(23)14-25-21(24)19-12-17-10-6-3-7-11-18(17)26-19/h2,4-5,8-9,12,15H,3,6-7,10-11,13-14H2,1H3,(H,22,23)/t15-/m1/s1