N-[[5-azanyl-4-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-2,3-dihydrothiophen-2-yl]carbonyl]piperidine-1-carboxamide

Systemtic Name: N-[[5-azanyl-4-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-2,3-dihydrothiophen-2-yl]carbonyl]piperidine-1-carboxamide Openeye Name: N-[5-amino-4-cyano-3-(4-hydroxy-3-methoxy-phenyl)-2,3-dihydrothiophene-2-carbonyl]piperidine-1-carboxamide CAS Name: N-[[5-amino-4-cyano-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrothiophen-2-yl]-oxomethyl]-1-piperidinecarboxamide IUPAC Name: N-[5-amino-4-cyano-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrothiophene-2-carbonyl]piperidine-1-carboxamide Traditional Name: N-[5-amino-4-cyano-3-(4-hydroxy-3-methoxy-phenyl)-2,3-dihydrothiophene-2-carbonyl]piperidine-1-carboxamide Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(SC(=C2C#N)N)C(=O)NC(=O)N3CCCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2C(SC(=C2C#N)N)C(=O)NC(=O)N3CCCCC3)O

InChI

InChI=1S/C19H22N4O4S/c1-27-14-9-11(5-6-13(14)24)15-12(10-20)17(21)28-16(15)18(25)22-19(26)23-7-3-2-4-8-23/h5-6,9,15-16,24H,2-4,7-8,21H2,1H3,(H,22,25,26)