ethyl 5-[[(E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoyl]amino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[[(E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoyl]amino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[[(E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[(E)-3-[4-(cyanomethoxy)phenyl]-1-oxoprop-2-enyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[(E)-3-[4-(cyanomethoxy)phenyl]acryloyl]amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C=CC3=CC=C(C=C3)OCC#N

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O4S/c1-2-27-22(26)20-14-16-13-17(6-9-19(16)29-20)24-21(25)10-5-15-3-7-18(8-4-15)28-12-11-23/h3-10,13-14H,2,12H2,1H3,(H,24,25)/b10-5+