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

Systemtic Name: 4,4-dimethyl-6-[4-(phenylmethylsulfanyl)butoxy]-1H-3,1-benzoxazin-2-one Openeye Name: 6-(4-benzylsulfanylbutoxy)-4,4-dimethyl-1H-3,1-benzoxazin-2-one CAS Name: 4,4-dimethyl-6-[4-(phenylmethylthio)butoxy]-1H-3,1-benzoxazin-2-one IUPAC Name: 6-(4-benzylsulfanylbutoxy)-4,4-dimethyl-1H-3,1-benzoxazin-2-one Traditional Name: 6-[4-(benzylthio)butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)OCCCCSCC3=CC=CC=C3)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)OCCCCSCC3=CC=CC=C3)NC(=O)O1)C

InChI

InChI=1S/C21H25NO3S/c1-21(2)18-14-17(10-11-19(18)22-20(23)25-21)24-12-6-7-13-26-15-16-8-4-3-5-9-16/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3,(H,22,23)