propan-2-yl 4-[(7-chloranyl-8-methyl-2-thiophen-2-yl-quinolin-4-yl)carbonylamino]benzoate

Systemtic Name: propan-2-yl 4-[(7-chloranyl-8-methyl-2-thiophen-2-yl-quinolin-4-yl)carbonylamino]benzoate Openeye Name: isopropyl 4-[[7-chloro-8-methyl-2-(2-thienyl)quinoline-4-carbonyl]amino]benzoate CAS Name: 4-[[(7-chloro-8-methyl-2-thiophen-2-yl-4-quinolinyl)-oxomethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(7-chloro-8-methyl-2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate Traditional Name: 4-[[7-chloro-8-methyl-2-(2-thienyl)quinoline-4-carbonyl]amino]benzoic acid isopropyl ester Formula: C25H21ClN2O3S MolecularWeight: 464.96384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(C=C2C(=O)NC3=CC=C(C=C3)C(=O)OC(C)C)C4=CC=CS4)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(C=C2C(=O)NC3=CC=C(C=C3)C(=O)OC(C)C)C4=CC=CS4)Cl

InChI

InChI=1S/C25H21ClN2O3S/c1-14(2)31-25(30)16-6-8-17(9-7-16)27-24(29)19-13-21(22-5-4-12-32-22)28-23-15(3)20(26)11-10-18(19)23/h4-14H,1-3H3,(H,27,29)