(2,2,4-trimethyl-3-oxidanylidene-pentyl) (4Z)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: (2,2,4-trimethyl-3-oxidanylidene-pentyl) (4Z)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-diene-1-carboxylate Openeye Name: (2,2,4-trimethyl-3-oxo-pentyl) (4Z)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-cyclohexa-1,5-diene-1-carboxylate CAS Name: (4Z)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienecarboxylic acid (2,2,4-trimethyl-3-oxopentyl) ester IUPAC Name: (2,2,4-trimethyl-3-oxopentyl) (4Z)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxocyclohexa-1,5-diene-1-carboxylate Traditional Name: (4Z)-4-(3H-1,3-benzothiazol-2-ylidene)-3-keto-cyclohexa-1,5-diene-1-carboxylic acid (3-keto-2,2,4-trimethyl-pentyl) ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(C)(C)COC(=O)C1=CC(=O)C(=C2NC3=CC=CC=C3S2)C=C1

Isomeric SMILES

CC(C)C(=O)C(C)(C)COC(=O)C1=CC(=O)/C(=C\2/NC3=CC=CC=C3S2)/C=C1

InChI

InChI=1S/C22H23NO4S/c1-13(2)19(25)22(3,4)12-27-21(26)14-9-10-15(17(24)11-14)20-23-16-7-5-6-8-18(16)28-20/h5-11,13,23H,12H2,1-4H3/b20-15-