[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopentyl-amino]-2-oxidanylidene-ethyl] 2-propan-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopentyl-amino]-2-oxidanylidene-ethyl] 2-propan-2-ylquinoline-4-carboxylate Openeye Name: [2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] 2-isopropylquinoline-4-carboxylate CAS Name: 2-propan-2-yl-4-quinolinecarboxylic acid [2-[cyclopentyl-[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-propan-2-ylquinoline-4-carboxylate Traditional Name: 2-isopropylcinchoninic acid [2-[cyclopentyl-[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)N(C3CCCC3)C4CCS(=O)(=O)C4

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)N([C@H]3CCS(=O)(=O)C3)C4CCCC4

InChI

InChI=1S/C24H30N2O5S/c1-16(2)22-13-20(19-9-5-6-10-21(19)25-22)24(28)31-14-23(27)26(17-7-3-4-8-17)18-11-12-32(29,30)15-18/h5-6,9-10,13,16-18H,3-4,7-8,11-12,14-15H2,1-2H3/t18-/m0/s1