(3,3-dimethyl-2-oxidanylidene-butyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate CAS Name: 5-(1,3-benzothiazol-2-yl)-2-thiophenecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H17NO3S2 MolecularWeight: 359.46248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=C(S1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=C(S1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H17NO3S2/c1-18(2,3)15(20)10-22-17(21)14-9-8-13(23-14)16-19-11-6-4-5-7-12(11)24-16/h4-9H,10H2,1-3H3