methyl 6-[[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]pyridine-3-carboxylate Openeye Name: methyl 6-[4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[oxo-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbonyl]nicotinic acid methyl ester Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN(CC2)CC3=NC=CS3

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN(CC2)CC3=NC=CS3

InChI

InChI=1S/C17H20N4O3S/c1-24-17(23)13-3-4-14(19-11-13)16(22)21-7-2-6-20(8-9-21)12-15-18-5-10-25-15/h3-5,10-11H,2,6-9,12H2,1H3