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

Systemtic Name: methyl 2-[[6-(4-methoxyphenyl)pyridin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[6-(4-methoxyphenyl)-2-pyridyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[6-(4-methoxyphenyl)-2-pyridinyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[6-(4-methoxyphenyl)pyridin-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[6-(4-methoxyphenyl)-2-pyridyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CC=C2)NC3=C(C4=C(S3)CCCC4)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CC=C2)NC3=C(C4=C(S3)CCCC4)C(=O)OC

InChI

InChI=1S/C22H22N2O3S/c1-26-15-12-10-14(11-13-15)17-7-5-9-19(23-17)24-21-20(22(25)27-2)16-6-3-4-8-18(16)28-21/h5,7,9-13H,3-4,6,8H2,1-2H3,(H,23,24)