ethyl 4-cyano-3-methyl-5-[3-(3-nitrophenyl)prop-2-enoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[3-(3-nitrophenyl)prop-2-enoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[3-(3-nitrophenyl)prop-2-enoylamino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[3-(3-nitrophenyl)prop-2-enoylamino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[3-(3-nitrophenyl)acryloyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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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#N)C

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O5S/c1-3-26-18(23)16-11(2)14(10-19)17(27-16)20-15(22)8-7-12-5-4-6-13(9-12)21(24)25/h4-9H,3H2,1-2H3,(H,20,22)