(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-[4-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]quinoline-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-[4-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]quinoline-4-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-4-quinolinecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate Traditional Name: 2-[4-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]cinchoninic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C30H22N2O5S MolecularWeight: 522.57108

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=CC=CC=C5C(=C4)C(=O)OCC(=O)C6=CC=CS6

Isomeric SMILES

C1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=CC=CC=C5C(=C4)C(=O)OCC(=O)C6=CC=CS6

InChI

InChI=1S/C30H22N2O5S/c33-26(27-10-5-15-38-27)17-37-30(36)23-16-25(31-24-9-4-3-6-20(23)24)18-11-13-19(14-12-18)32-28(34)21-7-1-2-8-22(21)29(32)35/h1-6,9-16,21-22H,7-8,17H2