ethyl (7E)-7-(phenylcarbonyloxyimino)-2-pyrrol-1-yl-5,6-dihydro-4H-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (7E)-7-(phenylcarbonyloxyimino)-2-pyrrol-1-yl-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl (7E)-7-benzoyloxyimino-2-pyrrol-1-yl-5,6-dihydro-4H-benzothiophene-3-carboxylate CAS Name: (7E)-7-benzoyloxyimino-2-(1-pyrrolyl)-5,6-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (7E)-7-benzoyloxyimino-2-pyrrol-1-yl-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: (7E)-7-benzoyloximino-2-pyrrol-1-yl-5,6-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2=NOC(=O)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC\2=C1CCC/C2=N\OC(=O)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C22H20N2O4S/c1-2-27-22(26)18-16-11-8-12-17(19(16)29-20(18)24-13-6-7-14-24)23-28-21(25)15-9-4-3-5-10-15/h3-7,9-10,13-14H,2,8,11-12H2,1H3/b23-17+