O6-ethyl O3-methyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate

Systemtic Name: O6-ethyl O3-methyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Openeye Name: O6-ethyl O3-methyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate CAS Name: 2-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid O6-ethyl ester O3-methyl ester IUPAC Name: 6-O-ethyl 3-O-methyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Traditional Name: 2-[[(E)-3-(3-nitrophenyl)acryloyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid O6-ethyl ester O3-methyl ester Formula: C21H21N3O7S MolecularWeight: 459.47234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O7S/c1-3-31-21(27)23-10-9-15-16(12-23)32-19(18(15)20(26)30-2)22-17(25)8-7-13-5-4-6-14(11-13)24(28)29/h4-8,11H,3,9-10,12H2,1-2H3,(H,22,25)/b8-7+