3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-(2-methoxycarbonyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxidanylidene-butanethioic S-acid

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-(2-methoxycarbonyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxidanylidene-butanethioic S-acid Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-4-(2-methoxycarbonyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxo-butanethioic S-acid CAS Name: 3-(1,3-dioxo-2-isoindolyl)-4-(2-methoxycarbonyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanethioic S-acid IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-4-(2-methoxycarbonyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanethioic S-acid Traditional Name: 4-(2-carbomethoxy-3,4-dihydro-2H-quinolin-1-yl)-4-keto-3-phthalimido-thiobutyric acid Formula: C23H20N2O6S MolecularWeight: 452.4797

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC2=CC=CC=C2N1C(=O)C(CC(=O)S)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)C1CCC2=CC=CC=C2N1C(=O)C(CC(=O)S)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H20N2O6S/c1-31-23(30)17-11-10-13-6-2-5-9-16(13)24(17)22(29)18(12-19(26)32)25-20(27)14-7-3-4-8-15(14)21(25)28/h2-9,17-18H,10-12H2,1H3,(H,26,32)