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

Systemtic Name: ethyl 2-[2-azanyl-3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-1,3-thiazol-3-ium-4-yl]ethanoate Openeye Name: ethyl 2-[2-amino-3-[2-(3-nitrophenyl)-2-oxo-ethyl]thiazol-3-ium-4-yl]acetate CAS Name: 2-[2-amino-3-[2-(3-nitrophenyl)-2-oxoethyl]-4-thiazol-3-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-amino-3-[2-(3-nitrophenyl)-2-oxoethyl]-1,3-thiazol-3-ium-4-yl]acetate Traditional Name: 2-[2-amino-3-[2-keto-2-(3-nitrophenyl)ethyl]thiazol-3-ium-4-yl]acetic acid ethyl ester Formula: C15H16N3O5S+ MolecularWeight: 350.36964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O5S/c1-2-23-14(20)7-12-9-24-15(16)17(12)8-13(19)10-4-3-5-11(6-10)18(21)22/h3-6,9,16H,2,7-8H2,1H3/p+1