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

Systemtic Name: (2,2-dimethyl-3-oxidanylidene-butyl) (4Z)-4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-diene-1-carboxylate Openeye Name: (2,2-dimethyl-3-oxo-butyl) (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-oxobutyl) ester IUPAC Name: (2,2-dimethyl-3-oxobutyl) (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-butyl) ester Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO4S/c1-12(22)20(2,3)11-25-19(24)13-8-9-14(16(23)10-13)18-21-15-6-4-5-7-17(15)26-18/h4-10,21H,11H2,1-3H3/b18-14-