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

Systemtic Name: 6-[4-(1,3-benzothiazol-2-ylsulfanyl)butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Openeye Name: 6-[4-(1,3-benzothiazol-2-ylsulfanyl)butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one CAS Name: 6-[4-(1,3-benzothiazol-2-ylthio)butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one IUPAC Name: 6-[4-(1,3-benzothiazol-2-ylsulfanyl)butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Traditional Name: 6-[4-(1,3-benzothiazol-2-ylthio)butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)OCCCCSC3=NC4=CC=CC=C4S3)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)OCCCCSC3=NC4=CC=CC=C4S3)NC(=O)O1)C

InChI

InChI=1S/C21H22N2O3S2/c1-21(2)15-13-14(9-10-16(15)22-19(24)26-21)25-11-5-6-12-27-20-23-17-7-3-4-8-18(17)28-20/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,22,24)