propan-2-yl 4-ethyl-5-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 4-ethyl-5-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: isopropyl 4-ethyl-5-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-ethyl-5-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[(E)-3-(4-nitrophenyl)acryloyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC(C)C)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C20H22N2O5S/c1-5-16-13(4)28-19(18(16)20(24)27-12(2)3)21-17(23)11-8-14-6-9-15(10-7-14)22(25)26/h6-12H,5H2,1-4H3,(H,21,23)/b11-8+