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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC[C@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)[C@H](C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C26H27NO3S2/c1-3-17-14-15-20-21(16-17)32-25(22(20)26(29)30-2)27-24(28)23(18-10-6-4-7-11-18)31-19-12-8-5-9-13-19/h4-13,17,23H,3,14-16H2,1-2H3,(H,27,28)/t17-,23-/m0/s1