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

Systemtic Name: methyl 5-[[4-(3-methylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(3-methylthiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(3-methyl-2-thiophenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(3-methylthiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(3-methylthiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S/c1-13-6-11-25-16(13)17(21)20-8-3-7-19(9-10-20)12-14-4-5-15(24-14)18(22)23-2/h4-6,11H,3,7-10,12H2,1-2H3