ethyl 5-azanyl-4-cyano-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]oxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]oxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[(E)-3-(8-quinolyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(E)-1-oxo-3-(8-quinolinyl)prop-2-enoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(E)-3-(8-quinolyl)acryloyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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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=CC3=C2N=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)/C=C/C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C21H17N3O4S/c1-2-27-21(26)19-16(15(11-22)20(23)29-19)12-28-17(25)9-8-14-6-3-5-13-7-4-10-24-18(13)14/h3-10H,2,12,23H2,1H3/b9-8+