(5-phenyl-1,3-oxazol-2-yl)methyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: (5-phenyl-1,3-oxazol-2-yl)methyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: (5-phenyloxazol-2-yl)methyl 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]acetic acid (5-phenyl-2-oxazolyl)methyl ester IUPAC Name: (5-phenyl-1,3-oxazol-2-yl)methyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]acetic acid (5-phenyloxazol-2-yl)methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSCC(=O)OCC2=NC=C(O2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSCC(=O)OCC2=NC=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4S/c1-15-7-9-17(10-8-15)23-19(24)13-28-14-21(25)26-12-20-22-11-18(27-20)16-5-3-2-4-6-16/h2-11H,12-14H2,1H3,(H,23,24)