ethyl 2-[2-[4-(2-bromanyl-4-methyl-phenoxy)butanoylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[4-(2-bromanyl-4-methyl-phenoxy)butanoylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]thiazol-4-yl]acetate CAS Name: 2-[2-[[4-(2-bromo-4-methylphenoxy)-1-oxobutyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(2-bromo-4-methylphenoxy)butanoylamino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]thiazol-4-yl]acetic acid ethyl ester Formula: C18H21BrN2O4S MolecularWeight: 441.33934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)CCCOC2=C(C=C(C=C2)C)Br

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)CCCOC2=C(C=C(C=C2)C)Br

InChI

InChI=1S/C18H21BrN2O4S/c1-3-24-17(23)10-13-11-26-18(20-13)21-16(22)5-4-8-25-15-7-6-12(2)9-14(15)19/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,20,21,22)