ethyl 4,5-dimethyl-2-[3-(4-phenylmethoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[3-(4-phenylmethoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-benzyloxyphenyl)prop-2-enoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[3-(4-phenylmethoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Traditional Name: 2-[[3-(4-benzoxyphenyl)acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H25NO4S MolecularWeight: 435.5353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C=CC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C=CC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C25H25NO4S/c1-4-29-25(28)23-17(2)18(3)31-24(23)26-22(27)15-12-19-10-13-21(14-11-19)30-16-20-8-6-5-7-9-20/h5-15H,4,16H2,1-3H3,(H,26,27)