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

Systemtic Name: 4-chloranyl-N-methyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)butanamide Openeye Name: 4-chloro-N-methyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)butanamide CAS Name: 4-chloro-N-methyl-N-[1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]butanamide IUPAC Name: 4-chloro-N-methyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)butanamide Traditional Name: 4-chloro-N-[9-keto-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-N-methyl-butyramide Formula: C25H30ClNO5S MolecularWeight: 492.0274

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC)C(=O)CCCCl

Isomeric SMILES

CN(C1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC)C(=O)CCCCl

InChI

InChI=1S/C25H30ClNO5S/c1-27(22(29)7-6-12-26)18-10-8-15-13-20(30-2)24(31-3)25(32-4)23(15)16-9-11-21(33-5)19(28)14-17(16)18/h9,11,13-14,18H,6-8,10,12H2,1-5H3