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

Systemtic Name: ethyl 4-methyl-2-[[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[[(E)-3-(5-nitro-2-thienyl)prop-2-enoyl]amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[(E)-3-(5-nitro-2-thiophenyl)-1-oxoprop-2-enyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[[(E)-3-(5-nitro-2-thienyl)acryloyl]amino]thiazole-5-carboxylic acid ethyl ester Formula: C14H13N3O5S2 MolecularWeight: 367.40012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)C=CC2=CC=C(S2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)/C=C/C2=CC=C(S2)[N+](=O)[O-])C

InChI

InChI=1S/C14H13N3O5S2/c1-3-22-13(19)12-8(2)15-14(24-12)16-10(18)6-4-9-5-7-11(23-9)17(20)21/h4-7H,3H2,1-2H3,(H,15,16,18)/b6-4+