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

Systemtic Name: [5-[[4-(5-pyridin-2-ylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate Openeye Name: [5-[[4-[5-(2-pyridyl)thiophene-2-carbonyl]-1,4-diazepan-1-yl]methyl]-2-furyl]methyl acetate CAS Name: acetic acid [5-[[4-[oxo-[5-(2-pyridinyl)-2-thiophenyl]methyl]-1,4-diazepan-1-yl]methyl]-2-furanyl]methyl ester IUPAC Name: [5-[[4-(5-pyridin-2-ylthiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate Traditional Name: acetic acid [5-[[4-[5-(2-pyridyl)thiophene-2-carbonyl]-1,4-diazepan-1-yl]methyl]-2-furyl]methyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=CC=C(S3)C4=CC=CC=N4

Isomeric SMILES

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=CC=C(S3)C4=CC=CC=N4

InChI

InChI=1S/C23H25N3O4S/c1-17(27)29-16-19-7-6-18(30-19)15-25-11-4-12-26(14-13-25)23(28)22-9-8-21(31-22)20-5-2-3-10-24-20/h2-3,5-10H,4,11-16H2,1H3