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

Systemtic Name: 4-chloranyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)butanamide Openeye Name: 4-chloro-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)butanamide CAS Name: 4-chloro-N-[1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]butanamide IUPAC Name: 4-chloro-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]butyramide Formula: C24H28ClNO5S MolecularWeight: 478.00082

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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)CCCCl)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClNO5S/c1-29-19-12-14-7-9-17(26-21(28)6-5-11-25)16-13-18(27)20(32-4)10-8-15(16)22(14)24(31-3)23(19)30-2/h8,10,12-13,17H,5-7,9,11H2,1-4H3,(H,26,28)