ethyl 4-cyano-3-methyl-5-[3-(4-phenylmethoxyphenyl)prop-2-enoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[3-(4-phenylmethoxyphenyl)prop-2-enoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-[3-(4-benzyloxyphenyl)prop-2-enoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[1-oxo-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[3-(4-phenylmethoxyphenyl)prop-2-enoylamino]thiophene-2-carboxylate Traditional Name: 5-[[3-(4-benzoxyphenyl)acryloyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C=CC2=CC=C(C=C2)OCC3=CC=CC=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C=CC2=CC=C(C=C2)OCC3=CC=CC=C3)C#N)C

InChI

InChI=1S/C25H22N2O4S/c1-3-30-25(29)23-17(2)21(15-26)24(32-23)27-22(28)14-11-18-9-12-20(13-10-18)31-16-19-7-5-4-6-8-19/h4-14H,3,16H2,1-2H3,(H,27,28)