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

Systemtic Name: [5-[[4-(3-bromanylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate Openeye Name: [5-[[4-(3-bromothiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl acetate CAS Name: acetic acid [5-[[4-[(3-bromo-2-thiophenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furanyl]methyl ester IUPAC Name: [5-[[4-(3-bromothiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate Traditional Name: acetic acid [5-[[4-(3-bromothiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl ester Formula: C18H21BrN2O4S MolecularWeight: 441.33934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=C(C=CS3)Br

Isomeric SMILES

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=C(C=CS3)Br

InChI

InChI=1S/C18H21BrN2O4S/c1-13(22)24-12-15-4-3-14(25-15)11-20-6-2-7-21(9-8-20)18(23)17-16(19)5-10-26-17/h3-5,10H,2,6-9,11-12H2,1H3