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

Systemtic Name: methyl 5-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-1-oxidanyl-ethyl]-2-oxidanyl-benzoate Openeye Name: methyl 2-hydroxy-5-[1-hydroxy-2-[4-(4-methylthiazol-2-yl)-1,4-diazepan-1-yl]ethyl]benzoate CAS Name: 2-hydroxy-5-[1-hydroxy-2-[4-(4-methyl-2-thiazolyl)-1,4-diazepan-1-yl]ethyl]benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-5-[1-hydroxy-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethyl]benzoate Traditional Name: 2-hydroxy-5-[1-hydroxy-2-[4-(4-methylthiazol-2-yl)-1,4-diazepan-1-yl]ethyl]benzoic acid methyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)N2CCCN(CC2)CC(C3=CC(=C(C=C3)O)C(=O)OC)O

Isomeric SMILES

CC1=CSC(=N1)N2CCCN(CC2)CC(C3=CC(=C(C=C3)O)C(=O)OC)O

InChI

InChI=1S/C19H25N3O4S/c1-13-12-27-19(20-13)22-7-3-6-21(8-9-22)11-17(24)14-4-5-16(23)15(10-14)18(25)26-2/h4-5,10,12,17,23-24H,3,6-9,11H2,1-2H3