ethyl 7-[4-(2-azanyl-5-methyl-1,3-thiazol-4-yl)phenoxy]-2,2-dimethyl-heptanoate

Systemtic Name: ethyl 7-[4-(2-azanyl-5-methyl-1,3-thiazol-4-yl)phenoxy]-2,2-dimethyl-heptanoate Openeye Name: ethyl 7-[4-(2-amino-5-methyl-thiazol-4-yl)phenoxy]-2,2-dimethyl-heptanoate CAS Name: 7-[4-(2-amino-5-methyl-4-thiazolyl)phenoxy]-2,2-dimethylheptanoic acid ethyl ester IUPAC Name: ethyl 7-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-2,2-dimethylheptanoate Traditional Name: 7-[4-(2-amino-5-methyl-thiazol-4-yl)phenoxy]-2,2-dimethyl-enanthic acid ethyl ester Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCCCOC1=CC=C(C=C1)C2=C(SC(=N2)N)C

Isomeric SMILES

CCOC(=O)C(C)(C)CCCCCOC1=CC=C(C=C1)C2=C(SC(=N2)N)C

InChI

InChI=1S/C21H30N2O3S/c1-5-25-19(24)21(3,4)13-7-6-8-14-26-17-11-9-16(10-12-17)18-15(2)27-20(22)23-18/h9-12H,5-8,13-14H2,1-4H3,(H2,22,23)