(2-butoxy-2-oxidanylidene-ethyl) 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate

Systemtic Name: (2-butoxy-2-oxidanylidene-ethyl) 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Openeye Name: (2-butoxy-2-oxo-ethyl) 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-pyrazinecarboxylic acid (2-butoxy-2-oxoethyl) ester IUPAC Name: (2-butoxy-2-oxoethyl) 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)pyrazinic acid (2-butoxy-2-keto-ethyl) ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S/c1-2-3-10-24-14(22)11-25-18(23)16-15(19-8-9-20-16)17-21-12-6-4-5-7-13(12)26-17/h4-9H,2-3,10-11H2,1H3