ethyl 5-azanyl-4-cyano-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(E)-3-(3-nitrophenyl)acryloyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H15N3O6S MolecularWeight: 401.3932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O6S/c1-2-26-18(23)16-14(13(9-19)17(20)28-16)10-27-15(22)7-6-11-4-3-5-12(8-11)21(24)25/h3-8H,2,10,20H2,1H3/b7-6+