ethyl (4E,6S)-4-hydroxyimino-6-(4-methoxyphenyl)-3-(phenylmethylsulfanyl)-6,7-dihydro-5H-2-benzothiophene-1-carboxylate

Systemtic Name: ethyl (4E,6S)-4-hydroxyimino-6-(4-methoxyphenyl)-3-(phenylmethylsulfanyl)-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Openeye Name: ethyl (4E,6S)-3-benzylsulfanyl-4-hydroxyimino-6-(4-methoxyphenyl)-6,7-dihydro-5H-2-benzothiophene-1-carboxylate CAS Name: (4E,6S)-4-hydroxyimino-6-(4-methoxyphenyl)-3-(phenylmethylthio)-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl (4E,6S)-3-benzylsulfanyl-4-hydroxyimino-6-(4-methoxyphenyl)-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Traditional Name: (4E,6S)-3-(benzylthio)-4-hydroximino-6-(4-methoxyphenyl)-6,7-dihydro-5H-isobenzothiophene-1-carboxylic acid ethyl ester Formula: C25H25NO4S2 MolecularWeight: 467.6003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CC(CC(=NO)C2=C(S1)SCC3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=C2C[C@@H](C/C(=N\O)/C2=C(S1)SCC3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H25NO4S2/c1-3-30-24(27)23-20-13-18(17-9-11-19(29-2)12-10-17)14-21(26-28)22(20)25(32-23)31-15-16-7-5-4-6-8-16/h4-12,18,28H,3,13-15H2,1-2H3/b26-21+/t18-/m0/s1