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

Systemtic Name: methyl 2-(2-pyridin-2-ylsulfanylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-pyridylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-pyridylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H18N2O3S2 MolecularWeight: 362.46642

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C17H18N2O3S2/c1-22-17(21)15-11-6-2-3-7-12(11)24-16(15)19-13(20)10-23-14-8-4-5-9-18-14/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,19,20)