methyl 1-[3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[3-(1,3-benzothiazol-2-yl)pyrazine-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[3-(1,3-benzothiazol-2-yl)-2-pyrazinyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(1,3-benzothiazol-2-yl)pyrazine-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[3-(1,3-benzothiazol-2-yl)pyrazinoyl]isonipecotic acid methyl ester Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H18N4O3S/c1-26-19(25)12-6-10-23(11-7-12)18(24)16-15(20-8-9-21-16)17-22-13-4-2-3-5-14(13)27-17/h2-5,8-9,12H,6-7,10-11H2,1H3