ethyl 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-4-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)acryloyl]amino]-4-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H17N3O7S MolecularWeight: 467.45128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O7S/c1-2-30-21(27)20-19(13-6-4-3-5-7-13)24-22(33-20)23-18(26)9-8-14-10-16-17(32-12-31-16)11-15(14)25(28)29/h3-11H,2,12H2,1H3,(H,23,24,26)/b9-8+