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

Systemtic Name: ethyl 2-azanyl-5-(methylcarbamoyl)-4-[[(E)-3-(2-methylphenyl)prop-2-enoyl]oxymethyl]thiophene-3-carboxylate Openeye Name: ethyl 2-amino-5-(methylcarbamoyl)-4-[[(E)-3-(o-tolyl)prop-2-enoyl]oxymethyl]thiophene-3-carboxylate CAS Name: 2-amino-5-(methylcarbamoyl)-4-[[(E)-3-(2-methylphenyl)-1-oxoprop-2-enoxy]methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-(methylcarbamoyl)-4-[[(E)-3-(2-methylphenyl)prop-2-enoyl]oxymethyl]thiophene-3-carboxylate Traditional Name: 2-amino-5-(methylcarbamoyl)-4-[[(E)-3-(o-tolyl)acryloyl]oxymethyl]thiophene-3-carboxylic acid ethyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1COC(=O)C=CC2=CC=CC=C2C)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1COC(=O)/C=C/C2=CC=CC=C2C)C(=O)NC)N

InChI

InChI=1S/C20H22N2O5S/c1-4-26-20(25)16-14(17(19(24)22-3)28-18(16)21)11-27-15(23)10-9-13-8-6-5-7-12(13)2/h5-10H,4,11,21H2,1-3H3,(H,22,24)/b10-9+