5-[(2S)-2-ethylpiperidin-1-yl]carbonyl-1-[(3-methoxyphenyl)methyl]-4-oxidanylidene-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

Systemtic Name: 5-[(2S)-2-ethylpiperidin-1-yl]carbonyl-1-[(3-methoxyphenyl)methyl]-4-oxidanylidene-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide Openeye Name: 5-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(3-methoxyphenyl)methyl]-4-oxo-N-(2-thienylmethyl)pyridine-3-carboxamide CAS Name: 5-[[(2S)-2-ethyl-1-piperidinyl]-oxomethyl]-1-[(3-methoxyphenyl)methyl]-4-oxo-N-(thiophen-2-ylmethyl)-3-pyridinecarboxamide IUPAC Name: 5-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(3-methoxyphenyl)methyl]-4-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide Traditional Name: 5-[(2S)-2-ethylpiperidine-1-carbonyl]-4-keto-1-m-anisyl-N-(2-thenyl)nicotinamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C2=CN(C=C(C2=O)C(=O)NCC3=CC=CS3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)C2=CN(C=C(C2=O)C(=O)NCC3=CC=CS3)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C27H31N3O4S/c1-3-20-9-4-5-12-30(20)27(33)24-18-29(16-19-8-6-10-21(14-19)34-2)17-23(25(24)31)26(32)28-15-22-11-7-13-35-22/h6-8,10-11,13-14,17-18,20H,3-5,9,12,15-16H2,1-2H3,(H,28,32)/t20-/m0/s1