S-phenylazanyl 6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-4-carbothioate

Systemtic Name: S-phenylazanyl 6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-4-carbothioate Openeye Name: S-anilino 6-cyano-3-hydroxy-2,2-dimethyl-chromane-4-carbothioate CAS Name: 6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-carbothioic acid S-anilino ester IUPAC Name: S-anilino 6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-4-carbothioate Traditional Name: 6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-carbothioic acid S-anilino ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)C(=O)SNC3=CC=CC=C3)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)C(=O)SNC3=CC=CC=C3)O)C

InChI

InChI=1S/C19H18N2O3S/c1-19(2)17(22)16(14-10-12(11-20)8-9-15(14)24-19)18(23)25-21-13-6-4-3-5-7-13/h3-10,16-17,21-22H,1-2H3