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

Systemtic Name: methyl 5-[[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)CC3=NC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)CC3=NC=CS3

InChI

InChI=1S/C16H21N3O3S/c1-21-16(20)14-4-3-13(22-14)11-18-6-2-7-19(9-8-18)12-15-17-5-10-23-15/h3-5,10H,2,6-9,11-12H2,1H3