methyl 2-[(7-chloranyl-8-methyl-2-pyridin-4-yl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(7-chloranyl-8-methyl-2-pyridin-4-yl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[7-chloro-8-methyl-2-(4-pyridyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(7-chloro-8-methyl-2-pyridin-4-yl-4-quinolinyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(7-chloro-8-methyl-2-pyridin-4-ylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[7-chloro-8-methyl-2-(4-pyridyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C26H22ClN3O3S MolecularWeight: 491.98918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC)C5=CC=NC=C5)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC)C5=CC=NC=C5)Cl

InChI

InChI=1S/C26H22ClN3O3S/c1-14-19(27)8-7-16-18(13-20(29-23(14)16)15-9-11-28-12-10-15)24(31)30-25-22(26(32)33-2)17-5-3-4-6-21(17)34-25/h7-13H,3-6H2,1-2H3,(H,30,31)