methyl (E)-3-[4-[2-azanyl-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-oxidanyl-butyl]phenyl]but-2-enoate

Systemtic Name: methyl (E)-3-[4-[2-azanyl-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-oxidanyl-butyl]phenyl]but-2-enoate Openeye Name: methyl (E)-3-[4-[2-amino-1-hydroxy-2-methyl-1-(2-methylthiazol-4-yl)butyl]phenyl]but-2-enoate CAS Name: (E)-3-[4-[2-amino-1-hydroxy-2-methyl-1-(2-methyl-4-thiazolyl)butyl]phenyl]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[2-amino-1-hydroxy-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)butyl]phenyl]but-2-enoate Traditional Name: (E)-3-[4-[2-amino-1-hydroxy-2-methyl-1-(2-methylthiazol-4-yl)butyl]phenyl]but-2-enoic acid methyl ester Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(C1=CC=C(C=C1)C(=CC(=O)OC)C)(C2=CSC(=N2)C)O)N

Isomeric SMILES

CCC(C)(C(C1=CC=C(C=C1)/C(=C/C(=O)OC)/C)(C2=CSC(=N2)C)O)N

InChI

InChI=1S/C20H26N2O3S/c1-6-19(4,21)20(24,17-12-26-14(3)22-17)16-9-7-15(8-10-16)13(2)11-18(23)25-5/h7-12,24H,6,21H2,1-5H3/b13-11+