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

Systemtic Name: methyl 5-[[4-[(3-methylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(3-methyl-2-thienyl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(3-methyl-2-thiophenyl)methyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(3-methylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(3-methyl-2-thienyl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CC1=C(SC=C1)CN2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C18H24N2O3S/c1-14-6-11-24-17(14)13-20-8-3-7-19(9-10-20)12-15-4-5-16(23-15)18(21)22-2/h4-6,11H,3,7-10,12-13H2,1-2H3