ethyl 4-[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=C3)C

InChI

InChI=1S/C22H20N4O3S/c1-3-29-21(28)15-8-10-16(11-9-15)23-20(27)13-30-22-25-24-19-12-14(2)17-6-4-5-7-18(17)26(19)22/h4-12H,3,13H2,1-2H3,(H,23,27)