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

Systemtic Name: ethyl 2-[[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]amino]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(E)-3-(5-nitro-2-thienyl)prop-2-enoyl]amino]thiazole-4-carboxylate CAS Name: 2-[[(E)-3-(5-nitro-2-thiophenyl)-1-oxoprop-2-enyl]amino]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]amino]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(E)-3-(5-nitro-2-thienyl)acryloyl]amino]thiazole-4-carboxylic acid ethyl ester Formula: C13H11N3O5S2 MolecularWeight: 353.37354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)NC(=O)C=CC2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)NC(=O)/C=C/C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O5S2/c1-2-21-12(18)9-7-22-13(14-9)15-10(17)5-3-8-4-6-11(23-8)16(19)20/h3-7H,2H2,1H3,(H,14,15,17)/b5-3+