S-(diphenylmethyl) 2-(4-chloranyl-3-oxidanylidene-1,2-oxazol-5-yl)propanethioate

Systemtic Name: S-(diphenylmethyl) 2-(4-chloranyl-3-oxidanylidene-1,2-oxazol-5-yl)propanethioate Openeye Name: S-benzhydryl 2-(4-chloro-3-oxo-isoxazol-5-yl)propanethioate CAS Name: 2-(4-chloro-3-oxo-5-isoxazolyl)propanethioic acid S-(diphenylmethyl) ester IUPAC Name: S-benzhydryl 2-(4-chloro-3-oxo-1,2-oxazol-5-yl)propanethioate Traditional Name: 2-(4-chloro-3-keto-4-isoxazolin-5-yl)propanethioic acid S-benzhydryl ester Formula: C19H16ClNO3S MolecularWeight: 373.85324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClNO3S/c1-12(16-15(20)18(22)21-24-16)19(23)25-17(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,17H,1H3,(H,21,22)