ethyl 3,4-dimethyl-2-(5-nitrothiophen-2-yl)carbonylimino-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 3,4-dimethyl-2-(5-nitrothiophen-2-yl)carbonylimino-1,3-thiazole-5-carboxylate Openeye Name: ethyl 3,4-dimethyl-2-(5-nitrothiophene-2-carbonyl)imino-thiazole-5-carboxylate CAS Name: 3,4-dimethyl-2-[(5-nitro-2-thiophenyl)-oxomethyl]imino-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3,4-dimethyl-2-(5-nitrothiophene-2-carbonyl)imino-1,3-thiazole-5-carboxylate Traditional Name: 3,4-dimethyl-2-(5-nitrothiophene-2-carbonyl)imino-4-thiazoline-5-carboxylic acid ethyl ester Formula: C13H13N3O5S2 MolecularWeight: 355.38942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=NC(=O)C2=CC=C(S2)[N+](=O)[O-])S1)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=NC(=O)C2=CC=C(S2)[N+](=O)[O-])S1)C)C

InChI

InChI=1S/C13H13N3O5S2/c1-4-21-12(18)10-7(2)15(3)13(23-10)14-11(17)8-5-6-9(22-8)16(19)20/h5-6H,4H2,1-3H3