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

Systemtic Name: ethyl 2-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]-propyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]-propyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]-propylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]-propylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[[(E)-3-(4-nitrophenyl)acryloyl]-propyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-3-11-21(12-17-20-16(13-28-17)19(24)27-4-2)18(23)10-7-14-5-8-15(9-6-14)22(25)26/h5-10,13H,3-4,11-12H2,1-2H3/b10-7+