4,4-dimethyl-6-(4-pyridin-4-ylsulfanylbutoxy)-1H-3,1-benzoxazin-2-one

Systemtic Name: 4,4-dimethyl-6-(4-pyridin-4-ylsulfanylbutoxy)-1H-3,1-benzoxazin-2-one Openeye Name: 4,4-dimethyl-6-[4-(4-pyridylsulfanyl)butoxy]-1H-3,1-benzoxazin-2-one CAS Name: 4,4-dimethyl-6-[4-(pyridin-4-ylthio)butoxy]-1H-3,1-benzoxazin-2-one IUPAC Name: 4,4-dimethyl-6-(4-pyridin-4-ylsulfanylbutoxy)-1H-3,1-benzoxazin-2-one Traditional Name: 4,4-dimethyl-6-[4-(4-pyridylthio)butoxy]-1H-3,1-benzoxazin-2-one Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)OCCCCSC3=CC=NC=C3)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)OCCCCSC3=CC=NC=C3)NC(=O)O1)C

InChI

InChI=1S/C19H22N2O3S/c1-19(2)16-13-14(5-6-17(16)21-18(22)24-19)23-11-3-4-12-25-15-7-9-20-10-8-15/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,22)