[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl 3-methylbut-3-enoate

Systemtic Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl 3-methylbut-3-enoate Openeye Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl 3-methylbut-3-enoate CAS Name: 3-methyl-3-butenoic acid [[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenoxy]-oxomethyl]amino]methyl ester IUPAC Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenoxy]carbonylamino]methyl 3-methylbut-3-enoate Traditional Name: 3-methylbut-3-enoic acid [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)OC(=O)NCOC(=O)CC(=C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)OC(=O)NCOC(=O)CC(=C)C

InChI

InChI=1S/C22H22N2O5S/c1-14(2)10-21(25)28-13-23-22(26)29-18-9-8-16(11-15(18)3)27-12-20-24-17-6-4-5-7-19(17)30-20/h4-9,11H,1,10,12-13H2,2-3H3,(H,23,26)