S-(diphenylmethyl) 2-(3-oxidanylidene-1,2-oxazol-5-yl)propanethioate

Systemtic Name: S-(diphenylmethyl) 2-(3-oxidanylidene-1,2-oxazol-5-yl)propanethioate Openeye Name: S-benzhydryl 2-(3-oxoisoxazol-5-yl)propanethioate CAS Name: 2-(3-oxo-5-isoxazolyl)propanethioic acid S-(diphenylmethyl) ester IUPAC Name: S-benzhydryl 2-(3-oxo-1,2-oxazol-5-yl)propanethioate Traditional Name: 2-(3-keto-4-isoxazolin-5-yl)propanethioic acid S-benzhydryl ester Formula: C19H17NO3S MolecularWeight: 339.40818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=O)NO1)C(=O)SC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C1=CC(=O)NO1)C(=O)SC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H17NO3S/c1-13(16-12-17(21)20-23-16)19(22)24-18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,18H,1H3,(H,20,21)