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

Systemtic Name: (2,2-dimethyl-3-oxidanylidene-pentyl) (4Z)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-diene-1-carboxylate Openeye Name: (2,2-dimethyl-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-dimethyl-3-oxopentyl) ester IUPAC Name: (2,2-dimethyl-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-dimethyl-pentyl) ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4S/c1-4-18(24)21(2,3)12-26-20(25)13-9-10-14(16(23)11-13)19-22-15-7-5-6-8-17(15)27-19/h5-11,22H,4,12H2,1-3H3/b19-14-