methyl (6R)-6-ethyl-2-(2-phenylsulfanylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl (6R)-6-ethyl-2-(2-phenylsulfanylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6R)-6-ethyl-2-[(2-phenylsulfanylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-ethyl-2-[[1-oxo-2-(phenylthio)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-ethyl-2-[(2-phenylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-ethyl-2-[[2-(phenylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H23NO3S2 MolecularWeight: 389.53152

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CC[C@@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C20H23NO3S2/c1-3-13-9-10-15-16(11-13)26-19(18(15)20(23)24-2)21-17(22)12-25-14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,21,22)/t13-/m1/s1