ethyl 2-acetamido-7-chloranyl-6-[2-(4-hydroxyphenyl)ethyliminomethyl]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-acetamido-7-chloranyl-6-[2-(4-hydroxyphenyl)ethyliminomethyl]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetamido-7-chloro-6-[2-(4-hydroxyphenyl)ethyliminomethyl]benzothiophene-3-carboxylate CAS Name: 2-acetamido-7-chloro-6-[2-(4-hydroxyphenyl)ethyliminomethyl]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetamido-7-chloro-6-[2-(4-hydroxyphenyl)ethyliminomethyl]-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-7-chloro-6-[2-(4-hydroxyphenyl)ethyliminomethyl]benzothiophene-3-carboxylic acid ethyl ester Formula: C22H21ClN2O4S MolecularWeight: 444.93114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2Cl)C=NCCC3=CC=C(C=C3)O)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2Cl)C=NCCC3=CC=C(C=C3)O)NC(=O)C

InChI

InChI=1S/C22H21ClN2O4S/c1-3-29-22(28)18-17-9-6-15(19(23)20(17)30-21(18)25-13(2)26)12-24-11-10-14-4-7-16(27)8-5-14/h4-9,12,27H,3,10-11H2,1-2H3,(H,25,26)