ethyl 2-acetamido-7-chloranyl-6-[(phenylmethyl)iminomethyl]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-acetamido-7-chloranyl-6-[(phenylmethyl)iminomethyl]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetamido-6-(benzyliminomethyl)-7-chloro-benzothiophene-3-carboxylate CAS Name: 2-acetamido-7-chloro-6-[(phenylmethyl)iminomethyl]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetamido-6-(benzyliminomethyl)-7-chloro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-6-(benzyliminomethyl)-7-chloro-benzothiophene-3-carboxylic acid ethyl ester Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2Cl)C=NCC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2Cl)C=NCC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C21H19ClN2O3S/c1-3-27-21(26)17-16-10-9-15(12-23-11-14-7-5-4-6-8-14)18(22)19(16)28-20(17)24-13(2)25/h4-10,12H,3,11H2,1-2H3,(H,24,25)