(2S)-2-[(6-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide

Systemtic Name: (2S)-2-[(6-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide Openeye Name: (2S)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(p-tolyl)propanamide CAS Name: (2S)-2-[(6-chloro-1,3-benzoxazol-2-yl)thio]-N-(4-methylphenyl)propanamide IUPAC Name: (2S)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide Traditional Name: (2S)-2-[(6-chloro-1,3-benzoxazol-2-yl)thio]-N-(p-tolyl)propionamide Formula: C17H15ClN2O2S MolecularWeight: 346.8312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=C(O2)C=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC3=C(O2)C=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN2O2S/c1-10-3-6-13(7-4-10)19-16(21)11(2)23-17-20-14-8-5-12(18)9-15(14)22-17/h3-9,11H,1-2H3,(H,19,21)/t11-/m0/s1