ethyl 3-(4-methoxyphenyl)-4-methyl-2-(3-nitrophenyl)carbonylimino-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 3-(4-methoxyphenyl)-4-methyl-2-(3-nitrophenyl)carbonylimino-1,3-thiazole-5-carboxylate Openeye Name: ethyl 3-(4-methoxyphenyl)-4-methyl-2-(3-nitrobenzoyl)imino-thiazole-5-carboxylate CAS Name: 3-(4-methoxyphenyl)-4-methyl-2-[(3-nitrophenyl)-oxomethyl]imino-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-methoxyphenyl)-4-methyl-2-(3-nitrobenzoyl)imino-1,3-thiazole-5-carboxylate Traditional Name: 3-(4-methoxyphenyl)-4-methyl-2-(3-nitrobenzoyl)imino-4-thiazoline-5-carboxylic acid ethyl ester Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])S1)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])S1)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H19N3O6S/c1-4-30-20(26)18-13(2)23(15-8-10-17(29-3)11-9-15)21(31-18)22-19(25)14-6-5-7-16(12-14)24(27)28/h5-12H,4H2,1-3H3