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

Systemtic Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (5-methyl-2-phenyl-oxazol-4-yl)methyl 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]benzoic acid (5-methyl-2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]benzoic acid (5-methyl-2-phenyl-oxazol-4-yl)methyl ester Formula: C27H21N3O4S MolecularWeight: 483.53834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3SCC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3SCC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C27H21N3O4S/c1-18-23(30-26(34-18)20-9-3-2-4-10-20)16-33-27(32)22-12-5-6-13-24(22)35-17-25(31)29-21-11-7-8-19(14-21)15-28/h2-14H,16-17H2,1H3,(H,29,31)