6-[(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(2S)-2-(1,3-benzothiazol-2-ylthio)-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(2S)-2-(1,3-benzothiazol-2-ylthio)propanoyl]-4H-1,4-benzoxazin-3-one Formula: C18H14N2O3S2 MolecularWeight: 370.44536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H14N2O3S2/c1-10(24-18-20-12-4-2-3-5-15(12)25-18)17(22)11-6-7-14-13(8-11)19-16(21)9-23-14/h2-8,10H,9H2,1H3,(H,19,21)/t10-/m0/s1