ethyl 4-methyl-2-[(3-nitrophenyl)amino]-3-prop-2-enyl-1,3-thiazol-3-ium-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(3-nitrophenyl)amino]-3-prop-2-enyl-1,3-thiazol-3-ium-5-carboxylate Openeye Name: ethyl 3-allyl-4-methyl-2-(3-nitroanilino)thiazol-3-ium-5-carboxylate CAS Name: 4-methyl-2-(3-nitroanilino)-3-prop-2-enyl-5-thiazol-3-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-(3-nitroanilino)-3-prop-2-enyl-1,3-thiazol-3-ium-5-carboxylate Traditional Name: 3-allyl-4-methyl-2-(3-nitroanilino)thiazol-3-ium-5-carboxylic acid ethyl ester Formula: C16H18N3O4S+ MolecularWeight: 348.39682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([N+](=C(S1)NC2=CC(=CC=C2)[N+](=O)[O-])CC=C)C

Isomeric SMILES

CCOC(=O)C1=C([N+](=C(S1)NC2=CC(=CC=C2)[N+](=O)[O-])CC=C)C

InChI

InChI=1S/C16H17N3O4S/c1-4-9-18-11(3)14(15(20)23-5-2)24-16(18)17-12-7-6-8-13(10-12)19(21)22/h4,6-8,10H,1,5,9H2,2-3H3/p+1