ethyl 4-methyl-2-[[(E)-3-thiophen-3-ylprop-2-enoyl]oxymethyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[[(E)-3-thiophen-3-ylprop-2-enoyl]oxymethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[(E)-3-(3-thienyl)prop-2-enoyl]oxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(E)-1-oxo-3-(3-thiophenyl)prop-2-enoxy]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[(E)-3-thiophen-3-ylprop-2-enoyl]oxymethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[(E)-3-(3-thienyl)acryloyl]oxymethyl]quinoline-3-carboxylic acid ethyl ester Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C=CC3=CSC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)/C=C/C3=CSC=C3)C

InChI

InChI=1S/C21H19NO4S/c1-3-25-21(24)20-14(2)16-6-4-5-7-17(16)22-18(20)12-26-19(23)9-8-15-10-11-27-13-15/h4-11,13H,3,12H2,1-2H3/b9-8+