(Z)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(5-methyl-2-sulfanylidene-3H-1,3-thiazol-4-yl)prop-2-enoic acid

Systemtic Name: (Z)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(5-methyl-2-sulfanylidene-3H-1,3-thiazol-4-yl)prop-2-enoic acid Openeye Name: (Z)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(5-methyl-2-thioxo-3H-thiazol-4-yl)prop-2-enoic acid CAS Name: (Z)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(5-methyl-2-sulfanylidene-3H-thiazol-4-yl)-2-propenoic acid IUPAC Name: (Z)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(5-methyl-2-sulfanylidene-3H-1,3-thiazol-4-yl)prop-2-enoic acid Traditional Name: (Z)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(5-methyl-2-thioxo-4-thiazolin-4-yl)acrylic acid Formula: C21H27NO3S2 MolecularWeight: 405.57398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=S)S1)C(=CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(NC(=S)S1)/C(=C/C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)/C(=O)O

InChI

InChI=1S/C21H27NO3S2/c1-11-16(22-19(26)27-11)13(18(24)25)8-12-9-14(20(2,3)4)17(23)15(10-12)21(5,6)7/h8-10,23H,1-7H3,(H,22,26)(H,24,25)/b13-8-