2-dimethylaminoethyl 1-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]-6-fluoranyl-5-methyl-3-(2-oxidanylidene-1H-pyridin-3-yl)indole-2-carboxylate

Systemtic Name: 2-dimethylaminoethyl 1-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]-6-fluoranyl-5-methyl-3-(2-oxidanylidene-1H-pyridin-3-yl)indole-2-carboxylate Openeye Name: 2-dimethylaminoethyl 1-[(2-chloro-7-methylsulfanyl-3-quinolyl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylate CAS Name: 1-[[2-chloro-7-(methylthio)-3-quinolinyl]methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-2-indolecarboxylic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 1-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylate Traditional Name: 1-[[2-chloro-7-(methylthio)-3-quinolyl]methyl]-6-fluoro-3-(2-keto-1H-pyridin-3-yl)-5-methyl-indole-2-carboxylic acid 2-dimethylaminoethyl ester Formula: C30H28ClFN4O3S MolecularWeight: 579.084723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(N2CC3=C(N=C4C=C(C=CC4=C3)SC)Cl)C(=O)OCCN(C)C)C5=CC=CNC5=O)F

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N2CC3=C(N=C4C=C(C=CC4=C3)SC)Cl)C(=O)OCCN(C)C)C5=CC=CNC5=O)F

InChI

InChI=1S/C30H28ClFN4O3S/c1-17-12-22-25(15-23(17)32)36(16-19-13-18-7-8-20(40-4)14-24(18)34-28(19)31)27(30(38)39-11-10-35(2)3)26(22)21-6-5-9-33-29(21)37/h5-9,12-15H,10-11,16H2,1-4H3,(H,33,37)