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

Systemtic Name: methyl 5-[[4-(3-chloranylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(3-chlorothiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(3-chloro-2-thiophenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(3-chlorothiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(3-chlorothiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C17H19ClN2O4S MolecularWeight: 382.86176

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=C(C=CS3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=C(C=CS3)Cl

InChI

InChI=1S/C17H19ClN2O4S/c1-23-17(22)14-4-3-12(24-14)11-19-6-2-7-20(9-8-19)16(21)15-13(18)5-10-25-15/h3-5,10H,2,6-9,11H2,1H3