2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-3-methoxycarbonyl-4-oxidanylidene-1H-quinoline-7-carboxylic acid

Systemtic Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-3-methoxycarbonyl-4-oxidanylidene-1H-quinoline-7-carboxylic acid Openeye Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]sulfanyl-3-methoxycarbonyl-4-oxo-1H-quinoline-7-carboxylic acid CAS Name: 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]thio]-3-methoxycarbonyl-4-oxo-1H-quinoline-7-carboxylic acid IUPAC Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-3-methoxycarbonyl-4-oxo-1H-quinoline-7-carboxylic acid Traditional Name: 3-carbomethoxy-2-[[2-(homoveratrylamino)-2-keto-ethyl]thio]-4-keto-1H-quinoline-7-carboxylic acid Formula: C24H24N2O8S MolecularWeight: 500.52096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=C(C(=O)C3=C(N2)C=C(C=C3)C(=O)O)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=C(C(=O)C3=C(N2)C=C(C=C3)C(=O)O)C(=O)OC)OC

InChI

InChI=1S/C24H24N2O8S/c1-32-17-7-4-13(10-18(17)33-2)8-9-25-19(27)12-35-22-20(24(31)34-3)21(28)15-6-5-14(23(29)30)11-16(15)26-22/h4-7,10-11H,8-9,12H2,1-3H3,(H,25,27)(H,26,28)(H,29,30)