3-(butylamino)-4-[(1Z)-1-(2,6-ditert-butyl-3-sulfanyl-pyran-4-ylidene)ethyl]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(butylamino)-4-[(1Z)-1-(2,6-ditert-butyl-3-sulfanyl-pyran-4-ylidene)ethyl]cyclobut-3-ene-1,2-dione Openeye Name: 3-(butylamino)-4-[(1Z)-1-(2,6-ditert-butyl-3-sulfanyl-pyran-4-ylidene)ethyl]cyclobut-3-ene-1,2-dione CAS Name: 3-(butylamino)-4-[(1Z)-1-(2,6-ditert-butyl-3-mercapto-4-pyranylidene)ethyl]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(butylamino)-4-[(1Z)-1-(2,6-ditert-butyl-3-sulfanylpyran-4-ylidene)ethyl]cyclobut-3-ene-1,2-dione Traditional Name: 3-(butylamino)-4-[(1Z)-1-(2,6-ditert-butyl-3-mercapto-pyran-4-ylidene)ethyl]cyclobut-3-ene-1,2-quinone Formula: C23H33NO3S MolecularWeight: 403.57802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=O)C1=O)C(=C2C=C(OC(=C2S)C(C)(C)C)C(C)(C)C)C

Isomeric SMILES

CCCCNC1=C(C(=O)C1=O)/C(=C\2/C=C(OC(=C2S)C(C)(C)C)C(C)(C)C)/C

InChI

InChI=1S/C23H33NO3S/c1-9-10-11-24-17-16(18(25)19(17)26)13(2)14-12-15(22(3,4)5)27-21(20(14)28)23(6,7)8/h12,24,28H,9-11H2,1-8H3/b14-13-