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

Systemtic Name: methyl 4-methyl-2-[[(E)-3-thiophen-3-ylprop-2-enoyl]oxymethyl]quinoline-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H17NO4S MolecularWeight: 367.41828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C=CC3=CSC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)/C=C/C3=CSC=C3)C(=O)OC

InChI

InChI=1S/C20H17NO4S/c1-13-15-5-3-4-6-16(15)21-17(19(13)20(23)24-2)11-25-18(22)8-7-14-9-10-26-12-14/h3-10,12H,11H2,1-2H3/b8-7+