2-azanyl-4-methylsulfanyl-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]butanamide

Systemtic Name: 2-azanyl-4-methylsulfanyl-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]butanamide Openeye Name: 2-amino-4-methylsulfanyl-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]butanamide CAS Name: 2-amino-4-(methylthio)-N-[(7S)-1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]butanamide IUPAC Name: 2-amino-4-methylsulfanyl-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]butanamide Traditional Name: 2-amino-N-[(7S)-9-keto-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-4-(methylthio)butyramide Formula: C25H32N2O5S2 MolecularWeight: 504.66198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C(CCSC)N)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)NC(=O)C(CCSC)N)OC)OC

InChI

InChI=1S/C25H32N2O5S2/c1-30-20-12-14-6-8-18(27-25(29)17(26)10-11-33-4)16-13-19(28)21(34-5)9-7-15(16)22(14)24(32-3)23(20)31-2/h7,9,12-13,17-18H,6,8,10-11,26H2,1-5H3,(H,27,29)/t17?,18-/m0/s1