propyl 2-[[(2S)-2-phenyl-2-phenylsulfanyl-ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propyl 2-[[(2S)-2-phenyl-2-phenylsulfanyl-ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 2-[[(2S)-2-phenyl-2-phenylsulfanyl-acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2S)-1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(2S)-2-phenyl-2-(phenylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C26H27NO3S2 MolecularWeight: 465.62748

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)[C@H](C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C26H27NO3S2/c1-2-17-30-26(29)22-20-15-9-10-16-21(20)32-25(22)27-24(28)23(18-11-5-3-6-12-18)31-19-13-7-4-8-14-19/h3-8,11-14,23H,2,9-10,15-17H2,1H3,(H,27,28)/t23-/m0/s1