4-[[5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazol-3-yl]carbonyl]-1,4-diazepane-1-carbaldehyde

Systemtic Name: 4-[[5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazol-3-yl]carbonyl]-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]isoxazole-3-carbonyl]-1,4-diazepane-1-carbaldehyde CAS Name: 4-[[5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-3-isoxazolyl]-oxomethyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carbonyl]-1,4-diazepane-1-carbaldehyde Traditional Name: 4-[5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]isoxazole-3-carbonyl]-1,4-diazepane-1-carbaldehyde Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)OCC3=CC(=NO3)C(=O)N4CCCN(CC4)C=O

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)OCC3=CC(=NO3)C(=O)N4CCCN(CC4)C=O

InChI

InChI=1S/C19H20N4O4S/c1-13-20-16-9-14(3-4-18(16)28-13)26-11-15-10-17(21-27-15)19(25)23-6-2-5-22(12-24)7-8-23/h3-4,9-10,12H,2,5-8,11H2,1H3