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

Systemtic Name: 2-azanyl-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]propanamide Openeye Name: 2-amino-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]propanamide CAS Name: 2-amino-N-[(7S)-1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]propanamide IUPAC Name: 2-amino-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]propanamide Traditional Name: 2-amino-N-[(7S)-9-keto-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]propionamide Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC)N

Isomeric SMILES

CC(C(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC)N

InChI

InChI=1S/C23H28N2O5S/c1-12(24)23(27)25-16-8-6-13-10-18(28-2)21(29-3)22(30-4)20(13)14-7-9-19(31-5)17(26)11-15(14)16/h7,9-12,16H,6,8,24H2,1-5H3,(H,25,27)/t12?,16-/m0/s1