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

Systemtic Name: (7-acetamido-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-4-yl)methyl 4-chloranylbutanoate Openeye Name: (7-acetamido-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-4-yl)methyl 4-chlorobutanoate CAS Name: 4-chlorobutanoic acid [7-acetamido-1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-4-yl]methyl ester IUPAC Name: (7-acetamido-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-4-yl)methyl 4-chlorobutanoate Traditional Name: 4-chlorobutyric acid [7-acetamido-9-keto-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-4-yl]methyl ester Formula: C27H32ClNO7S MolecularWeight: 550.06348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=C(C3=CC=C(C(=O)C=C13)SC)C(=C(C(=C2COC(=O)CCCCl)OC)OC)OC

Isomeric SMILES

CC(=O)NC1CCC2=C(C3=CC=C(C(=O)C=C13)SC)C(=C(C(=C2COC(=O)CCCCl)OC)OC)OC

InChI

InChI=1S/C27H32ClNO7S/c1-15(30)29-20-10-8-17-19(14-36-23(32)7-6-12-28)25(33-2)27(35-4)26(34-3)24(17)16-9-11-22(37-5)21(31)13-18(16)20/h9,11,13,20H,6-8,10,12,14H2,1-5H3,(H,29,30)