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

Systemtic Name: methyl 3,5-dimethoxy-2-[[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 3,5-dimethoxy-2-[[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 3,5-dimethoxy-2-[[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3,5-dimethoxy-2-[[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 3,5-dimethoxy-2-[[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C(=O)OC)CN2CCCN(CC2)CC3=NC=CS3)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)C(=O)OC)CN2CCCN(CC2)CC3=NC=CS3)OC

InChI

InChI=1S/C20H27N3O4S/c1-25-15-11-16(20(24)27-3)17(18(12-15)26-2)13-22-6-4-7-23(9-8-22)14-19-21-5-10-28-19/h5,10-12H,4,6-9,13-14H2,1-3H3