methyl 5-[[4-(5-pyridin-2-ylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(5-pyridin-2-ylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[5-(2-pyridyl)thiophene-2-carbonyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[oxo-[5-(2-pyridinyl)-2-thiophenyl]methyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(5-pyridin-2-ylthiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[5-(2-pyridyl)thiophene-2-carbonyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=CC=C(S3)C4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=CC=C(S3)C4=CC=CC=N4

InChI

InChI=1S/C22H23N3O4S/c1-28-22(27)18-7-6-16(29-18)15-24-11-4-12-25(14-13-24)21(26)20-9-8-19(30-20)17-5-2-3-10-23-17/h2-3,5-10H,4,11-15H2,1H3