ethyl 3-methyl-5-[(4-nitrophenyl)amino]-1,2-thiazole-4-carboxylate

Systemtic Name: ethyl 3-methyl-5-[(4-nitrophenyl)amino]-1,2-thiazole-4-carboxylate Openeye Name: ethyl 3-methyl-5-(4-nitroanilino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(4-nitroanilino)-4-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-(4-nitroanilino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(4-nitroanilino)isothiazole-4-carboxylic acid ethyl ester Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SN=C1C)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SN=C1C)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4S/c1-3-20-13(17)11-8(2)15-21-12(11)14-9-4-6-10(7-5-9)16(18)19/h4-7,14H,3H2,1-2H3