2-[3-cyano-4-(4-methyl-2-oxidanyl-phenoxy)phenyl]-1,3-thiazinane-4-carboxylic acid

Systemtic Name: 2-[3-cyano-4-(4-methyl-2-oxidanyl-phenoxy)phenyl]-1,3-thiazinane-4-carboxylic acid Openeye Name: 2-[3-cyano-4-(2-hydroxy-4-methyl-phenoxy)phenyl]-1,3-thiazinane-4-carboxylic acid CAS Name: 2-[3-cyano-4-(2-hydroxy-4-methylphenoxy)phenyl]-1,3-thiazinane-4-carboxylic acid IUPAC Name: 2-[3-cyano-4-(2-hydroxy-4-methylphenoxy)phenyl]-1,3-thiazinane-4-carboxylic acid Traditional Name: 2-[3-cyano-4-(2-hydroxy-4-methyl-phenoxy)phenyl]-1,3-thiazinane-4-carboxylic acid Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=C(C=C(C=C2)C3NC(CCS3)C(=O)O)C#N)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=C(C=C(C=C2)C3NC(CCS3)C(=O)O)C#N)O

InChI

InChI=1S/C19H18N2O4S/c1-11-2-4-17(15(22)8-11)25-16-5-3-12(9-13(16)10-20)18-21-14(19(23)24)6-7-26-18/h2-5,8-9,14,18,21-22H,6-7H2,1H3,(H,23,24)