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

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

Systemtic Name:6-[4-(1,3-benzothiazol-2-ylsulfonyl)butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one
Openeye Name:6-[4-(1,3-benzothiazol-2-ylsulfonyl)butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one
CAS Name:6-[4-(1,3-benzothiazol-2-ylsulfonyl)butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one
IUPAC Name:6-[4-(1,3-benzothiazol-2-ylsulfonyl)butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one
Traditional Name:6-[4-(1,3-benzothiazol-2-ylsulfonyl)butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one
Formula: C21H22N2O5S2
MolecularWeight: 446.53978
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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)OCCCCS(=O)(=O)C3=NC4=CC=CC=C4S3)NC(=O)O1)C


Isomeric SMILES

CC1(C2=C(C=CC(=C2)OCCCCS(=O)(=O)C3=NC4=CC=CC=C4S3)NC(=O)O1)C


InChI

InChI=1S/C21H22N2O5S2/c1-21(2)15-13-14(9-10-16(15)22-19(24)28-21)27-11-5-6-12-30(25,26)20-23-17-7-3-4-8-18(17)29-20/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,22,24)


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