(5Z)-5-[[4-[(3,5-ditert-butylphenyl)-oxidanyl-methyl]-3-oxidanylidene-1,4-benzoxazin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione

Systemtic Name: (5Z)-5-[[4-[(3,5-ditert-butylphenyl)-oxidanyl-methyl]-3-oxidanylidene-1,4-benzoxazin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: (5Z)-5-[[4-[(3,5-ditert-butylphenyl)-hydroxy-methyl]-3-oxo-1,4-benzoxazin-6-yl]methylene]thiazolidine-2,4-dione CAS Name: (5Z)-5-[[4-[(3,5-ditert-butylphenyl)-hydroxymethyl]-3-oxo-1,4-benzoxazin-6-yl]methylidene]thiazolidine-2,4-dione IUPAC Name: (5Z)-5-[[4-[(3,5-ditert-butylphenyl)-hydroxymethyl]-3-oxo-1,4-benzoxazin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: (5Z)-5-[[4-[(3,5-ditert-butylphenyl)-hydroxy-methyl]-3-keto-1,4-benzoxazin-6-yl]methylene]thiazolidine-2,4-quinone Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(N2C(=O)COC3=C2C=C(C=C3)C=C4C(=O)NC(=O)S4)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(N2C(=O)COC3=C2C=C(C=C3)/C=C\4/C(=O)NC(=O)S4)O)C(C)(C)C

InChI

InChI=1S/C27H30N2O5S/c1-26(2,3)17-11-16(12-18(13-17)27(4,5)6)24(32)29-19-9-15(7-8-20(19)34-14-22(29)30)10-21-23(31)28-25(33)35-21/h7-13,24,32H,14H2,1-6H3,(H,28,31,33)/b21-10-