2-[(3-tert-butyl-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-5-yl)-(2,3-dimethoxyphenyl)methyl]sulfanylbutanedioic acid

Systemtic Name: 2-[(3-tert-butyl-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-5-yl)-(2,3-dimethoxyphenyl)methyl]sulfanylbutanedioic acid Openeye Name: 2-[(3-tert-butyl-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-5-yl)-(2,3-dimethoxyphenyl)methyl]sulfanylbutanedioic acid CAS Name: 2-[[(3-tert-butyl-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-5-yl)-(2,3-dimethoxyphenyl)methyl]thio]butanedioic acid IUPAC Name: 2-[(3-tert-butyl-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-5-yl)-(2,3-dimethoxyphenyl)methyl]sulfanylbutanedioic acid Traditional Name: 2-[[(3-tert-butyl-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-5-yl)-(2,3-dimethoxyphenyl)methyl]thio]succinic acid Formula: C26H33NO7S MolecularWeight: 503.60772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)OCC(N2)C(C)(C)C)C(C3=C(C(=CC=C3)OC)OC)SC(CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C2C(=C1)OCC(N2)C(C)(C)C)C(C3=C(C(=CC=C3)OC)OC)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C26H33NO7S/c1-14-10-16(22-18(11-14)34-13-20(27-22)26(2,3)4)24(35-19(25(30)31)12-21(28)29)15-8-7-9-17(32-5)23(15)33-6/h7-11,19-20,24,27H,12-13H2,1-6H3,(H,28,29)(H,30,31)