6-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C18H13ClN2O3S2 MolecularWeight: 404.89042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C18H13ClN2O3S2/c1-9(25-18-21-13-7-11(19)3-5-15(13)26-18)17(23)10-2-4-14-12(6-10)20-16(22)8-24-14/h2-7,9H,8H2,1H3,(H,20,22)