2-[4-methyl-2-(5,6,7,8-tetrahydroquinolin-8-ylsulfanyl)-1,3-benzoxazol-5-yl]ethanoate

Systemtic Name: 2-[4-methyl-2-(5,6,7,8-tetrahydroquinolin-8-ylsulfanyl)-1,3-benzoxazol-5-yl]ethanoate Openeye Name: 2-[4-methyl-2-(5,6,7,8-tetrahydroquinolin-8-ylsulfanyl)-1,3-benzoxazol-5-yl]acetate CAS Name: 2-[4-methyl-2-(5,6,7,8-tetrahydroquinolin-8-ylthio)-1,3-benzoxazol-5-yl]acetate IUPAC Name: 2-[4-methyl-2-(5,6,7,8-tetrahydroquinolin-8-ylsulfanyl)-1,3-benzoxazol-5-yl]acetate Traditional Name: 2-[4-methyl-2-(5,6,7,8-tetrahydroquinolin-8-ylthio)-1,3-benzoxazol-5-yl]acetate Formula: C19H17N2O3S- MolecularWeight: 353.41488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(O2)SC3CCCC4=C3N=CC=C4)CC(=O)[O-]

Isomeric SMILES

CC1=C(C=CC2=C1N=C(O2)SC3CCCC4=C3N=CC=C4)CC(=O)[O-]

InChI

InChI=1S/C19H18N2O3S/c1-11-13(10-16(22)23)7-8-14-17(11)21-19(24-14)25-15-6-2-4-12-5-3-9-20-18(12)15/h3,5,7-9,15H,2,4,6,10H2,1H3,(H,22,23)/p-1