ethyl 4-(4-fluorophenyl)-2-[3-(4-phenylmethoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-[3-(4-phenylmethoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-benzyloxyphenyl)prop-2-enoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[1-oxo-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-[3-(4-phenylmethoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Traditional Name: 2-[[3-(4-benzoxyphenyl)acryloyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C29H24FNO4S MolecularWeight: 501.568563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C=CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C=CC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C29H24FNO4S/c1-2-34-29(33)27-25(22-11-13-23(30)14-12-22)19-36-28(27)31-26(32)17-10-20-8-15-24(16-9-20)35-18-21-6-4-3-5-7-21/h3-17,19H,2,18H2,1H3,(H,31,32)