methyl 6-[[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]carbamoyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]carbamoyl]pyridine-3-carboxylate Openeye Name: methyl 6-[[1-(1,3-benzothiazol-2-yl)-3-piperidyl]carbamoyl]pyridine-3-carboxylate CAS Name: 6-[[[1-(1,3-benzothiazol-2-yl)-3-piperidinyl]amino]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]carbamoyl]pyridine-3-carboxylate Traditional Name: 6-[[1-(1,3-benzothiazol-2-yl)-3-piperidyl]carbamoyl]nicotinic acid methyl ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)NC2CCCN(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)NC2CCCN(C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N4O3S/c1-27-19(26)13-8-9-16(21-11-13)18(25)22-14-5-4-10-24(12-14)20-23-15-6-2-3-7-17(15)28-20/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,22,25)