diethyl 5-azanyl-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[[(E)-3-(p-tolyl)prop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enoxy]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(E)-3-(p-tolyl)acryloyl]oxymethyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1COC(=O)C=CC2=CC=C(C=C2)C)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1COC(=O)/C=C/C2=CC=C(C=C2)C)C(=O)OCC)N

InChI

InChI=1S/C21H23NO6S/c1-4-26-20(24)17-15(18(29-19(17)22)21(25)27-5-2)12-28-16(23)11-10-14-8-6-13(3)7-9-14/h6-11H,4-5,12,22H2,1-3H3/b11-10+