3,5-ditert-butyl-4-oxidanyl-benzenecarbothioic S-acid; ethyl N-(2-methylpropoxycarbothioyl)carbamate

Systemtic Name: 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioic S-acid; ethyl N-(2-methylpropoxycarbothioyl)carbamate Openeye Name: 3,5-ditert-butyl-4-hydroxy-benzenecarbothioic S-acid; ethyl N-isobutoxycarbothioylcarbamate CAS Name: 3,5-ditert-butyl-4-hydroxybenzenecarbothioic S-acid; N-[2-methylpropoxy(sulfanylidene)methyl]carbamic acid ethyl ester IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzenecarbothioic S-acid; ethyl N-(2-methylpropoxycarbothioyl)carbamate Traditional Name: 3,5-ditert-butyl-4-hydroxy-thiobenzoic acid; N-isobutoxycarbothioylcarbamic acid ethyl ester Formula: C23H37NO5S2 MolecularWeight: 471.67358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)OCC(C)C.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)S

Isomeric SMILES

CCOC(=O)NC(=S)OCC(C)C.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)S

InChI

InChI=1S/C15H22O2S.C8H15NO3S/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6;1-4-11-7(10)9-8(13)12-5-6(2)3/h7-8,16H,1-6H3,(H,17,18);6H,4-5H2,1-3H3,(H,9,10,13)