ethyl 2-[[3-methoxypropyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[3-methoxypropyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[3-methoxypropyl(8-quinolylsulfonyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[3-methoxypropyl(8-quinolinylsulfonyl)amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-methoxypropyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[3-methoxypropyl(8-quinolylsulfonyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(CCCOC)S(=O)(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(CCCOC)S(=O)(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C20H23N3O5S2/c1-3-28-20(24)16-14-29-18(22-16)13-23(11-6-12-27-2)30(25,26)17-9-4-7-15-8-5-10-21-19(15)17/h4-5,7-10,14H,3,6,11-13H2,1-2H3