ethyl (E)-5-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-5-sulfanyl-pent-2-enoate

Systemtic Name: ethyl (E)-5-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-5-sulfanyl-pent-2-enoate Openeye Name: ethyl (E)-5-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-5-sulfanyl-pent-2-enoate CAS Name: (E)-5-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-5-mercapto-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E)-5-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-5-sulfanylpent-2-enoate Traditional Name: (E)-5-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-5-mercapto-pent-2-enoic acid ethyl ester Formula: C21H30O3S MolecularWeight: 362.5261

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCC(=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)S

Isomeric SMILES

CCOC(=O)/C=C/CC(=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)S

InChI

InChI=1S/C21H30O3S/c1-8-24-18(22)11-9-10-17(25)14-12-15(20(2,3)4)19(23)16(13-14)21(5,6)7/h9,11-13,25H,8,10H2,1-7H3/b11-9+