ethyl 3-[(4,4-dimethyl-2-oxidanyl-3-sulfanylidene-dodecanoyl)amino]benzoate

Systemtic Name: ethyl 3-[(4,4-dimethyl-2-oxidanyl-3-sulfanylidene-dodecanoyl)amino]benzoate Openeye Name: ethyl 3-[(2-hydroxy-4,4-dimethyl-3-thioxo-dodecanoyl)amino]benzoate CAS Name: 3-[(2-hydroxy-4,4-dimethyl-1-oxo-3-sulfanylidenedodecyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-hydroxy-4,4-dimethyl-3-sulfanylidenedodecanoyl)amino]benzoate Traditional Name: 3-[(2-hydroxy-4,4-dimethyl-3-thioxo-dodecanoyl)amino]benzoic acid ethyl ester Formula: C23H35NO4S MolecularWeight: 421.5933

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)(C)C(=S)C(C(=O)NC1=CC=CC(=C1)C(=O)OCC)O

Isomeric SMILES

CCCCCCCCC(C)(C)C(=S)C(C(=O)NC1=CC=CC(=C1)C(=O)OCC)O

InChI

InChI=1S/C23H35NO4S/c1-5-7-8-9-10-11-15-23(3,4)20(29)19(25)21(26)24-18-14-12-13-17(16-18)22(27)28-6-2/h12-14,16,19,25H,5-11,15H2,1-4H3,(H,24,26)