2-azanyl-3-[(2-chloranyl-5-methylsulfinyl-phenyl)methyl]-6,7-dimethoxy-3-methoxycarbonyl-2-methyl-4H-quinoline-1-carboxylic acid

Systemtic Name: 2-azanyl-3-[(2-chloranyl-5-methylsulfinyl-phenyl)methyl]-6,7-dimethoxy-3-methoxycarbonyl-2-methyl-4H-quinoline-1-carboxylic acid Openeye Name: 2-amino-3-[(2-chloro-5-methylsulfinyl-phenyl)methyl]-6,7-dimethoxy-3-methoxycarbonyl-2-methyl-4H-quinoline-1-carboxylic acid CAS Name: 2-amino-3-[(2-chloro-5-methylsulfinylphenyl)methyl]-6,7-dimethoxy-3-methoxycarbonyl-2-methyl-4H-quinoline-1-carboxylic acid IUPAC Name: 2-amino-3-[(2-chloro-5-methylsulfinylphenyl)methyl]-6,7-dimethoxy-3-methoxycarbonyl-2-methyl-4H-quinoline-1-carboxylic acid Traditional Name: 2-amino-3-carbomethoxy-3-(2-chloro-5-methylsulfinyl-benzyl)-6,7-dimethoxy-2-methyl-4H-quinoline-1-carboxylic acid Formula: C23H27ClN2O7S MolecularWeight: 510.98768

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC2=CC(=C(C=C2N1C(=O)O)OC)OC)(CC3=C(C=CC(=C3)S(=O)C)Cl)C(=O)OC)N

Isomeric SMILES

CC1(C(CC2=CC(=C(C=C2N1C(=O)O)OC)OC)(CC3=C(C=CC(=C3)S(=O)C)Cl)C(=O)OC)N

InChI

InChI=1S/C23H27ClN2O7S/c1-22(25)23(20(27)33-4,11-13-8-15(34(5)30)6-7-16(13)24)12-14-9-18(31-2)19(32-3)10-17(14)26(22)21(28)29/h6-10H,11-12,25H2,1-5H3,(H,28,29)