ethyl 2-(2-cyanoethanoylamino)-4-[5-(4-prop-2-enoxyphenyl)thiophen-2-yl]thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-cyanoethanoylamino)-4-[5-(4-prop-2-enoxyphenyl)thiophen-2-yl]thiophene-3-carboxylate Openeye Name: ethyl 4-[5-(4-allyloxyphenyl)-2-thienyl]-2-[(2-cyanoacetyl)amino]thiophene-3-carboxylate CAS Name: 2-[(2-cyano-1-oxoethyl)amino]-4-[5-(4-prop-2-enoxyphenyl)-2-thiophenyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-cyanoacetyl)amino]-4-[5-(4-prop-2-enoxyphenyl)thiophen-2-yl]thiophene-3-carboxylate Traditional Name: 4-[5-(4-allyloxyphenyl)-2-thienyl]-2-[(2-cyanoacetyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H20N2O4S2 MolecularWeight: 452.5459

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(S2)C3=CC=C(C=C3)OCC=C)NC(=O)CC#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(S2)C3=CC=C(C=C3)OCC=C)NC(=O)CC#N

InChI

InChI=1S/C23H20N2O4S2/c1-3-13-29-16-7-5-15(6-8-16)18-9-10-19(31-18)17-14-30-22(25-20(26)11-12-24)21(17)23(27)28-4-2/h3,5-10,14H,1,4,11,13H2,2H3,(H,25,26)