ethyl 2-[[(2S)-2-pyridin-2-ylsulfanylpropanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(2S)-2-pyridin-2-ylsulfanylpropanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(2S)-2-(2-pyridylsulfanyl)propanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2S)-1-oxo-2-(2-pyridinylthio)propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-pyridin-2-ylsulfanylpropanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(2S)-2-(2-pyridylthio)propanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)SC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)[C@H](C)SC3=CC=CC=N3

InChI

InChI=1S/C19H22N2O3S2/c1-3-24-19(23)16-13-8-4-5-9-14(13)26-18(16)21-17(22)12(2)25-15-10-6-7-11-20-15/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,21,22)/t12-/m0/s1