ethyl 2-[[(E)-2-cyano-3-[3-(3-methylphenyl)carbonyloxyphenyl]prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-[3-(3-methylphenyl)carbonyloxyphenyl]prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-[3-(3-methylbenzoyl)oxyphenyl]prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-[3-[(3-methylphenyl)-oxomethoxy]phenyl]-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-[3-(3-methylbenzoyl)oxyphenyl]prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(3-m-toluoyloxyphenyl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C25H20N2O5S MolecularWeight: 460.5017

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)C(=CC2=CC(=CC=C2)OC(=O)C3=CC(=CC=C3)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)/C(=C/C2=CC(=CC=C2)OC(=O)C3=CC(=CC=C3)C)/C#N

InChI

InChI=1S/C25H20N2O5S/c1-3-31-25(30)21-10-11-33-23(21)27-22(28)19(15-26)13-17-7-5-9-20(14-17)32-24(29)18-8-4-6-16(2)12-18/h4-14H,3H2,1-2H3,(H,27,28)/b19-13+