methyl (6S)-6-methyl-2-(2-pyridin-2-ylsulfanylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl (6S)-6-methyl-2-(2-pyridin-2-ylsulfanylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6S)-6-methyl-2-[[2-(2-pyridylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-methyl-2-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-methyl-2-[(2-pyridin-2-ylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-methyl-2-[[2-(2-pyridylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H20N2O3S2 MolecularWeight: 376.493

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CSC3=CC=CC=N3

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C18H20N2O3S2/c1-11-6-7-12-13(9-11)25-17(16(12)18(22)23-2)20-14(21)10-24-15-5-3-4-8-19-15/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,20,21)/t11-/m0/s1