2-acetamido-N-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]-3-(6-methoxy-2-methyl-quinolin-4-yl)sulfanyl-propanamide

Systemtic Name: 2-acetamido-N-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]-3-(6-methoxy-2-methyl-quinolin-4-yl)sulfanyl-propanamide Openeye Name: 2-acetamido-N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-3-[(6-methoxy-2-methyl-4-quinolyl)sulfanyl]propanamide CAS Name: 2-acetamido-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[(6-methoxy-2-methyl-4-quinolinyl)thio]propanamide IUPAC Name: 2-acetamido-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(6-methoxy-2-methylquinolin-4-yl)sulfanylpropanamide Traditional Name: 2-acetamido-N-(2-hydroxy-1,1-dimethylol-ethyl)-3-[(6-methoxy-2-methyl-4-quinolyl)thio]propionamide Formula: C20H27N3O6S MolecularWeight: 437.50988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)OC)C(=C1)SCC(C(=O)NC(CO)(CO)CO)NC(=O)C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)OC)C(=C1)SCC(C(=O)NC(CO)(CO)CO)NC(=O)C

InChI

InChI=1S/C20H27N3O6S/c1-12-6-18(15-7-14(29-3)4-5-16(15)21-12)30-8-17(22-13(2)27)19(28)23-20(9-24,10-25)11-26/h4-7,17,24-26H,8-11H2,1-3H3,(H,22,27)(H,23,28)