3-methylsulfonylsulfanyl-N-[(7S)-1,2,3,10-tetramethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]propanamide

Systemtic Name: 3-methylsulfonylsulfanyl-N-[(7S)-1,2,3,10-tetramethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]propanamide Openeye Name: 3-methylsulfonylsulfanyl-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]propanamide CAS Name: 3-(methylsulfonylthio)-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]propanamide IUPAC Name: 3-methylsulfonylsulfanyl-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]propanamide Traditional Name: N-[(7S)-9-keto-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-3-(mesylthio)propionamide Formula: C24H29NO8S2 MolecularWeight: 523.61896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)CCSS(=O)(=O)C

Isomeric SMILES

COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)CCSS(=O)(=O)C

InChI

InChI=1S/C24H29NO8S2/c1-30-19-9-7-15-16(13-18(19)26)17(25-21(27)10-11-34-35(5,28)29)8-6-14-12-20(31-2)23(32-3)24(33-4)22(14)15/h7,9,12-13,17H,6,8,10-11H2,1-5H3,(H,25,27)/t17-/m0/s1