[5-[[4-(3-ethoxythiophen-2-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate

Systemtic Name: [5-[[4-(3-ethoxythiophen-2-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate Openeye Name: [5-[[4-(3-ethoxythiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl acetate CAS Name: acetic acid [5-[[4-[(3-ethoxy-2-thiophenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furanyl]methyl ester IUPAC Name: [5-[[4-(3-ethoxythiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate Traditional Name: acetic acid [5-[[4-(3-ethoxythiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(SC=C1)C(=O)N2CCCN(CC2)CC3=CC=C(O3)COC(=O)C

Isomeric SMILES

CCOC1=C(SC=C1)C(=O)N2CCCN(CC2)CC3=CC=C(O3)COC(=O)C

InChI

InChI=1S/C20H26N2O5S/c1-3-25-18-7-12-28-19(18)20(24)22-9-4-8-21(10-11-22)13-16-5-6-17(27-16)14-26-15(2)23/h5-7,12H,3-4,8-11,13-14H2,1-2H3