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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-pyrazinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)pyrazinic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=NC=CN=C1C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=NC=CN=C1C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H17N3O3S/c1-18(2,3)13(22)10-24-17(23)15-14(19-8-9-20-15)16-21-11-6-4-5-7-12(11)25-16/h4-9H,10H2,1-3H3