ethyl 2-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(3-nitrophenyl)acryloyl]amino]-5-isopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5S/c1-4-28-20(25)16-10-17(12(2)3)29-19(16)22-18(24)14(11-21)8-13-6-5-7-15(9-13)23(26)27/h5-10,12H,4H2,1-3H3,(H,22,24)/b14-8+