[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [5-(p-tolyl)isoxazol-3-yl]methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [5-(4-methylphenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [5-(p-tolyl)isoxazol-3-yl]methyl ester Formula: C20H16N2O3S2 MolecularWeight: 396.48264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)COC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)COC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H16N2O3S2/c1-13-6-8-14(9-7-13)17-10-15(22-25-17)11-24-19(23)12-26-20-21-16-4-2-3-5-18(16)27-20/h2-10H,11-12H2,1H3