1,3-benzothiazol-2-ylmethyl 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-butyl-6-oxo-pyridazine-3-carboxylate CAS Name: 1-butyl-6-oxo-3-pyridazinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-butyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-butyl-6-keto-pyridazine-3-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C=CC(=N1)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCN1C(=O)C=CC(=N1)C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H17N3O3S/c1-2-3-10-20-16(21)9-8-13(19-20)17(22)23-11-15-18-12-6-4-5-7-14(12)24-15/h4-9H,2-3,10-11H2,1H3