ethyl 2-[3-(5-nitrothiophen-2-yl)prop-2-enoylamino]-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[3-(5-nitrothiophen-2-yl)prop-2-enoylamino]-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[3-(5-nitro-2-thienyl)prop-2-enoylamino]-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[[3-(5-nitro-2-thiophenyl)-1-oxoprop-2-enyl]amino]-4-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(5-nitrothiophen-2-yl)prop-2-enoylamino]-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[3-(5-nitro-2-thienyl)acryloyl]amino]-4-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C19H15N3O5S2 MolecularWeight: 429.4695

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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-])C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)C=CC2=CC=C(S2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H15N3O5S2/c1-2-27-18(24)17-16(12-6-4-3-5-7-12)21-19(29-17)20-14(23)10-8-13-9-11-15(28-13)22(25)26/h3-11H,2H2,1H3,(H,20,21,23)