[2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-[[(1S)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-keto-2-[[(1S)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

C[C@@H](CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C21H25NO3S/c1-15(11-12-16-7-3-2-4-8-16)22-20(23)14-25-21(24)19-13-17-9-5-6-10-18(17)26-19/h2-4,7-8,13,15H,5-6,9-12,14H2,1H3,(H,22,23)/t15-/m0/s1