ethyl 2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[[(E)-3-(2-nitrophenyl)-1-oxoprop-2-enyl]amino]-4-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[(E)-3-(2-nitrophenyl)acryloyl]amino]-4-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)C=CC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O5S/c1-2-29-20(26)19-18(15-9-4-3-5-10-15)23-21(30-19)22-17(25)13-12-14-8-6-7-11-16(14)24(27)28/h3-13H,2H2,1H3,(H,22,23,25)/b13-12+