ethyl 3-methyl-5-[2-(3-methyl-4-nitro-phenoxy)butanoylamino]-1,2-thiazole-4-carboxylate

Systemtic Name: ethyl 3-methyl-5-[2-(3-methyl-4-nitro-phenoxy)butanoylamino]-1,2-thiazole-4-carboxylate Openeye Name: ethyl 3-methyl-5-[2-(3-methyl-4-nitro-phenoxy)butanoylamino]isothiazole-4-carboxylate CAS Name: 3-methyl-5-[[2-(3-methyl-4-nitrophenoxy)-1-oxobutyl]amino]-4-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[2-(3-methyl-4-nitrophenoxy)butanoylamino]-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-[2-(3-methyl-4-nitro-phenoxy)butanoylamino]isothiazole-4-carboxylic acid ethyl ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=NS1)C)C(=O)OCC)OC2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=NS1)C)C(=O)OCC)OC2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H21N3O6S/c1-5-14(27-12-7-8-13(21(24)25)10(3)9-12)16(22)19-17-15(11(4)20-28-17)18(23)26-6-2/h7-9,14H,5-6H2,1-4H3,(H,19,22)