ethyl 4-[2-(1-benzothiophen-5-ylmethylsulfonyl)-1-[methanoyl(oxidanyl)amino]ethyl]benzoate

Systemtic Name: ethyl 4-[2-(1-benzothiophen-5-ylmethylsulfonyl)-1-[methanoyl(oxidanyl)amino]ethyl]benzoate Openeye Name: ethyl 4-[2-(benzothiophen-5-ylmethylsulfonyl)-1-[formyl(hydroxy)amino]ethyl]benzoate CAS Name: 4-[2-(1-benzothiophen-5-ylmethylsulfonyl)-1-[formyl(hydroxy)amino]ethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(1-benzothiophen-5-ylmethylsulfonyl)-1-[formyl(hydroxy)amino]ethyl]benzoate Traditional Name: 4-[2-(benzothiophen-5-ylmethylsulfonyl)-1-[formyl(hydroxy)amino]ethyl]benzoic acid ethyl ester Formula: C21H21NO6S2 MolecularWeight: 447.52454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(CS(=O)(=O)CC2=CC3=C(C=C2)SC=C3)N(C=O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C(CS(=O)(=O)CC2=CC3=C(C=C2)SC=C3)N(C=O)O

InChI

InChI=1S/C21H21NO6S2/c1-2-28-21(24)17-6-4-16(5-7-17)19(22(25)14-23)13-30(26,27)12-15-3-8-20-18(11-15)9-10-29-20/h3-11,14,19,25H,2,12-13H2,1H3