methyl 2-[2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-1H-pyrazol-5-yl]ethanoate; piperidine-4-carboxamide

Systemtic Name: methyl 2-[2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-1H-pyrazol-5-yl]ethanoate; piperidine-4-carboxamide Openeye Name: methyl 2-[2-(1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-5-yl]acetate; piperidine-4-carboxamide CAS Name: 2-[2-(1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid methyl ester; 4-piperidinecarboxamide IUPAC Name: methyl 2-[2-(1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-5-yl]acetate; piperidine-4-carboxamide Traditional Name: 2-[1-(1,3-benzothiazol-2-yl)-5-keto-3-pyrazolin-3-yl]acetic acid methyl ester; isonipecotamide Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N(N1)C2=NC3=CC=CC=C3S2.C1CNCCC1C(=O)N

Isomeric SMILES

COC(=O)CC1=CC(=O)N(N1)C2=NC3=CC=CC=C3S2.C1CNCCC1C(=O)N

InChI

InChI=1S/C13H11N3O3S.C6H12N2O/c1-19-12(18)7-8-6-11(17)16(15-8)13-14-9-4-2-3-5-10(9)20-13;7-6(9)5-1-3-8-4-2-5/h2-6,15H,7H2,1H3;5,8H,1-4H2,(H2,7,9)