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

Systemtic Name: ethyl 2-[3-[2-(3-acetamidophenyl)-2-oxidanylidene-ethyl]-2-azanyl-1,3-thiazol-3-ium-4-yl]ethanoate Openeye Name: ethyl 2-[3-[2-(3-acetamidophenyl)-2-oxo-ethyl]-2-amino-thiazol-3-ium-4-yl]acetate CAS Name: 2-[3-[2-(3-acetamidophenyl)-2-oxoethyl]-2-amino-4-thiazol-3-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[2-(3-acetamidophenyl)-2-oxoethyl]-2-amino-1,3-thiazol-3-ium-4-yl]acetate Traditional Name: 2-[3-[2-(3-acetamidophenyl)-2-keto-ethyl]-2-amino-thiazol-3-ium-4-yl]acetic acid ethyl ester Formula: C17H20N3O4S+ MolecularWeight: 362.4234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4S/c1-3-24-16(23)8-14-10-25-17(18)20(14)9-15(22)12-5-4-6-13(7-12)19-11(2)21/h4-7,10,18H,3,8-9H2,1-2H3,(H,19,21)/p+1