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

Systemtic Name: methyl 6-phenyl-2-(3-pyridin-2-ylsulfanylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-phenyl-2-[3-(2-pyridylsulfanyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-3-(2-pyridinylthio)propyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-phenyl-2-(3-pyridin-2-ylsulfanylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-phenyl-2-[3-(2-pyridylthio)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C24H24N2O3S2 MolecularWeight: 452.58896

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CCSC4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CCSC4=CC=CC=N4

InChI

InChI=1S/C24H24N2O3S2/c1-29-24(28)22-18-11-10-17(16-7-3-2-4-8-16)15-19(18)31-23(22)26-20(27)12-14-30-21-9-5-6-13-25-21/h2-9,13,17H,10-12,14-15H2,1H3,(H,26,27)