ethyl 5-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoyl]amino]-1-quinolin-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoyl]amino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoyl]amino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)-1-oxobutyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoyl]amino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[[4-(methylthio)-2-phthalimido-butanoyl]amino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C28H25N5O5S MolecularWeight: 543.5936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)C(CCSC)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)C(CCSC)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C28H25N5O5S/c1-3-38-28(37)20-16-29-33(23-13-12-17-8-4-7-11-21(17)30-23)24(20)31-25(34)22(14-15-39-2)32-26(35)18-9-5-6-10-19(18)27(32)36/h4-13,16,22H,3,14-15H2,1-2H3,(H,31,34)