ethyl 2-[2-[[4-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl]amino]ethanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[[4-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl]amino]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-[(E)-3-ethoxy-3-oxo-prop-1-enyl]anilino]acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]anilino]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]anilino]acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-[(E)-3-ethoxy-3-keto-prop-1-enyl]anilino]acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CNC2=CC=C(C=C2)C=CC(=O)OCC)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CNC2=CC=C(C=C2)/C=C/C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C22H26N2O5S/c1-4-17-13-18(22(27)29-6-3)21(30-17)24-19(25)14-23-16-10-7-15(8-11-16)9-12-20(26)28-5-2/h7-13,23H,4-6,14H2,1-3H3,(H,24,25)/b12-9+