ethyl 2-[2-azanyl-3-[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl]-1,3-thiazol-3-ium-4-yl]ethanoate bromide

Systemtic Name: ethyl 2-[2-azanyl-3-[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl]-1,3-thiazol-3-ium-4-yl]ethanoate bromide Openeye Name: ethyl 2-[2-amino-3-[2-(2-methoxyphenyl)-2-oxo-ethyl]thiazol-3-ium-4-yl]acetate bromide CAS Name: 2-[2-amino-3-[2-(2-methoxyphenyl)-2-oxoethyl]-4-thiazol-3-iumyl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[2-amino-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-thiazol-3-ium-4-yl]acetate bromide Traditional Name: 2-[2-amino-3-[2-keto-2-(2-methoxyphenyl)ethyl]thiazol-3-ium-4-yl]acetic acid ethyl ester bromide Formula: C16H19BrN2O4S MolecularWeight: 415.30206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=[N+]1CC(=O)C2=CC=CC=C2OC)N.[Br-]

Isomeric SMILES

CCOC(=O)CC1=CSC(=[N+]1CC(=O)C2=CC=CC=C2OC)N.[Br-]

InChI

InChI=1S/C16H18N2O4S.BrH/c1-3-22-15(20)8-11-10-23-16(17)18(11)9-13(19)12-6-4-5-7-14(12)21-2;/h4-7,10,17H,3,8-9H2,1-2H3;1H