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

Systemtic Name: ethyl 2-[2-azanyl-3-[2-(3-methylphenyl)-2-oxidanylidene-ethyl]-1,3-thiazol-3-ium-4-yl]ethanoate Openeye Name: ethyl 2-[2-amino-3-[2-(m-tolyl)-2-oxo-ethyl]thiazol-3-ium-4-yl]acetate CAS Name: 2-[2-amino-3-[2-(3-methylphenyl)-2-oxoethyl]-4-thiazol-3-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-amino-3-[2-(3-methylphenyl)-2-oxoethyl]-1,3-thiazol-3-ium-4-yl]acetate Traditional Name: 2-[2-amino-3-[2-keto-2-(m-tolyl)ethyl]thiazol-3-ium-4-yl]acetic acid ethyl ester Formula: C16H19N2O3S+ MolecularWeight: 319.39866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=[N+]1CC(=O)C2=CC(=CC=C2)C)N

Isomeric SMILES

CCOC(=O)CC1=CSC(=[N+]1CC(=O)C2=CC(=CC=C2)C)N

InChI

InChI=1S/C16H18N2O3S/c1-3-21-15(20)8-13-10-22-16(17)18(13)9-14(19)12-6-4-5-11(2)7-12/h4-7,10,17H,3,8-9H2,1-2H3/p+1