dimethyl 3-methyl-5-[3-(3-nitrophenyl)prop-2-enoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[3-(3-nitrophenyl)prop-2-enoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[3-(3-nitrophenyl)prop-2-enoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[3-(3-nitrophenyl)prop-2-enoylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[3-(3-nitrophenyl)acryloyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H16N2O7S MolecularWeight: 404.39384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H16N2O7S/c1-10-14(17(22)26-2)16(28-15(10)18(23)27-3)19-13(21)8-7-11-5-4-6-12(9-11)20(24)25/h4-9H,1-3H3,(H,19,21)