ethyl 3-methyl-5-[3-(3-nitrophenyl)prop-2-enoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[3-(3-nitrophenyl)prop-2-enoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[3-(3-nitrophenyl)prop-2-enoylamino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[3-(3-nitrophenyl)prop-2-enoylamino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[[3-(3-nitrophenyl)acryloyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5S/c1-3-24-17(21)16-11(2)9-15(25-16)18-14(20)8-7-12-5-4-6-13(10-12)19(22)23/h4-10H,3H2,1-2H3,(H,18,20)