6-[(2S)-2-naphthalen-2-ylsulfanylpropanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[(2S)-2-naphthalen-2-ylsulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(2S)-2-(2-naphthylsulfanyl)propanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(2S)-2-(2-naphthalenylthio)-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(2S)-2-naphthalen-2-ylsulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(2S)-2-(2-naphthylthio)propanoyl]-4H-1,4-benzoxazin-3-one Formula: C21H17NO3S MolecularWeight: 363.42958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H17NO3S/c1-13(26-17-8-6-14-4-2-3-5-15(14)10-17)21(24)16-7-9-19-18(11-16)22-20(23)12-25-19/h2-11,13H,12H2,1H3,(H,22,23)/t13-/m0/s1