ethyl 2-[2-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]sulfanylthiazol-4-yl]acetate CAS Name: 2-[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]thio]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]thio]thiazol-4-yl]acetic acid ethyl ester Formula: C16H17BrN2O3S2 MolecularWeight: 429.35178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)SCC(=O)NC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)SCC(=O)NC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C16H17BrN2O3S2/c1-3-22-15(21)7-12-8-23-16(18-12)24-9-14(20)19-13-5-4-11(17)6-10(13)2/h4-6,8H,3,7,9H2,1-2H3,(H,19,20)