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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[(E)-3-(2-methylphenyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[(E)-3-(o-tolyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(E)-3-(2-methylphenyl)-1-oxoprop-2-enoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[(E)-3-(2-methylphenyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(E)-3-(o-tolyl)acryloyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C=CC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)/C=C/C2=CC=CC=C2C

InChI

InChI=1S/C19H18N2O4S/c1-3-24-19(23)17-15(14(10-20)18(21)26-17)11-25-16(22)9-8-13-7-5-4-6-12(13)2/h4-9H,3,11,21H2,1-2H3/b9-8+