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

Systemtic Name: N-[(7S)-3-(3-azanyl-2-oxidanyl-propoxy)-1,2-dimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide Openeye Name: N-[(7S)-3-(3-amino-2-hydroxy-propoxy)-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide CAS Name: N-[(7S)-3-(3-amino-2-hydroxypropoxy)-1,2-dimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: N-[(7S)-3-(3-amino-2-hydroxypropoxy)-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Traditional Name: N-[(7S)-3-(3-amino-2-hydroxy-propoxy)-9-keto-1,2-dimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Formula: C24H30N2O6S MolecularWeight: 474.5698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OCC(CN)O

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O6S/c1-13(27)26-18-7-5-14-9-20(32-12-15(28)11-25)23(30-2)24(31-3)22(14)16-6-8-21(33-4)19(29)10-17(16)18/h6,8-10,15,18,28H,5,7,11-12,25H2,1-4H3,(H,26,27)/t15?,18-/m0/s1