O2-tert-butyl O4-ethyl 3-methyl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-ethyl 3-methyl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 3-methyl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 3-methyl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[(E)-3-(3-nitrophenyl)acryloyl]amino]thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O7S/c1-6-30-20(26)17-13(2)18(21(27)31-22(3,4)5)32-19(17)23-16(25)11-10-14-8-7-9-15(12-14)24(28)29/h7-12H,6H2,1-5H3,(H,23,25)/b11-10+