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

Systemtic Name: (2S)-2-[(6-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)propanamide Openeye Name: (2S)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(isopropylcarbamoyl)propanamide CAS Name: (2S)-2-[(6-chloro-1,3-benzoxazol-2-yl)thio]-N-[oxo-(propan-2-ylamino)methyl]propanamide IUPAC Name: (2S)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)propanamide Traditional Name: (2S)-2-[(6-chloro-1,3-benzoxazol-2-yl)thio]-N-(isopropylcarbamoyl)propionamide Formula: C14H16ClN3O3S MolecularWeight: 341.81314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)SC1=NC2=C(O1)C=C(C=C2)Cl

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)SC1=NC2=C(O1)C=C(C=C2)Cl

InChI

InChI=1S/C14H16ClN3O3S/c1-7(2)16-13(20)18-12(19)8(3)22-14-17-10-5-4-9(15)6-11(10)21-14/h4-8H,1-3H3,(H2,16,18,19,20)/t8-/m0/s1