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

Systemtic Name: [5-[[4-(3-methylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate Openeye Name: [5-[[4-(3-methylthiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl acetate CAS Name: acetic acid [5-[[4-[(3-methyl-2-thiophenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furanyl]methyl ester IUPAC Name: [5-[[4-(3-methylthiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate Traditional Name: acetic acid [5-[[4-(3-methylthiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl ester Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)N2CCCN(CC2)CC3=CC=C(O3)COC(=O)C

Isomeric SMILES

CC1=C(SC=C1)C(=O)N2CCCN(CC2)CC3=CC=C(O3)COC(=O)C

InChI

InChI=1S/C19H24N2O4S/c1-14-6-11-26-18(14)19(23)21-8-3-7-20(9-10-21)12-16-4-5-17(25-16)13-24-15(2)22/h4-6,11H,3,7-10,12-13H2,1-2H3