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

Systemtic Name: ethyl 2-azanyl-4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-amino-4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-amino-4-[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enoxy]methyl]-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-amino-4-[[(E)-3-(4-methoxyphenyl)acryloyl]oxymethyl]-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S/c1-4-27-20(25)16-14(17(19(24)22-2)29-18(16)21)11-28-15(23)10-7-12-5-8-13(26-3)9-6-12/h5-10H,4,11,21H2,1-3H3,(H,22,24)/b10-7+