6-[4-(3-methoxyphenyl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one

Systemtic Name: 6-[4-(3-methoxyphenyl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Openeye Name: 6-[4-(3-methoxyphenyl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one CAS Name: 6-[4-[(3-methoxyphenyl)thio]butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one IUPAC Name: 6-[4-(3-methoxyphenyl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Traditional Name: 6-[4-[(3-methoxyphenyl)thio]butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-21(2)18-14-16(9-10-19(18)22-20(23)26-21)25-11-4-5-12-27-17-8-6-7-15(13-17)24-3/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,22,23)