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

Systemtic Name: ethyl 4-aminocarbonyl-3-methyl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate Openeye Name: ethyl 4-carbamoyl-3-methyl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate CAS Name: 4-carbamoyl-3-methyl-5-[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-carbamoyl-3-methyl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate Traditional Name: 4-carbamoyl-3-methyl-5-[[(E)-3-(4-nitrophenyl)acryloyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N)C

InChI

InChI=1S/C18H17N3O6S/c1-3-27-18(24)15-10(2)14(16(19)23)17(28-15)20-13(22)9-6-11-4-7-12(8-5-11)21(25)26/h4-9H,3H2,1-2H3,(H2,19,23)(H,20,22)/b9-6+