methyl 2-[[6-(3-ethanoylphenyl)pyridin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[6-(3-ethanoylphenyl)pyridin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[6-(3-acetylphenyl)-2-pyridyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[6-(3-acetylphenyl)-2-pyridinyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[6-(3-acetylphenyl)pyridin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[6-(3-acetylphenyl)-2-pyridyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC(=C1)C2=NC(=CC=C2)NC3=C(C4=C(S3)CCCC4)C(=O)OC

Isomeric SMILES

CC(=O)C1=CC=CC(=C1)C2=NC(=CC=C2)NC3=C(C4=C(S3)CCCC4)C(=O)OC

InChI

InChI=1S/C23H22N2O3S/c1-14(26)15-7-5-8-16(13-15)18-10-6-12-20(24-18)25-22-21(23(27)28-2)17-9-3-4-11-19(17)29-22/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,24,25)