2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-[(S)-phenyl(thiophen-2-yl)methyl]ethanamide

Systemtic Name: 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-[(S)-phenyl(thiophen-2-yl)methyl]ethanamide Openeye Name: 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-[(S)-phenyl(2-thienyl)methyl]acetamide CAS Name: 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)thio]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide IUPAC Name: 2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide Traditional Name: 2-[(5-esyl-1,3-benzoxazol-2-yl)thio]-N-[(S)-phenyl(2-thienyl)methyl]acetamide Formula: C22H20N2O4S3 MolecularWeight: 472.6002

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NC(C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)N[C@@H](C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C22H20N2O4S3/c1-2-31(26,27)16-10-11-18-17(13-16)23-22(28-18)30-14-20(25)24-21(19-9-6-12-29-19)15-7-4-3-5-8-15/h3-13,21H,2,14H2,1H3,(H,24,25)/t21-/m0/s1