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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=CC(=C(C=C2N1C(=O)O)OC)OC)N(CC3=C(C=CC(=C3)S(=O)C)Cl)C(=O)OC

Isomeric SMILES

CC1CC(C2=CC(=C(C=C2N1C(=O)O)OC)OC)N(CC3=C(C=CC(=C3)S(=O)C)Cl)C(=O)OC

InChI

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