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

Systemtic Name: propan-2-yl 2-[(7-chloranyl-8-methyl-2-pyridin-4-yl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C28H26ClN3O3S MolecularWeight: 520.04234

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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(C)C)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(C)C)C5=CC=NC=C5)Cl

InChI

InChI=1S/C28H26ClN3O3S/c1-15(2)35-28(34)24-19-6-4-5-7-23(19)36-27(24)32-26(33)20-14-22(17-10-12-30-13-11-17)31-25-16(3)21(29)9-8-18(20)25/h8-15H,4-7H2,1-3H3,(H,32,33)