N-[1,2,3-trimethoxy-9-oxidanylidene-10-(2-sulfanylethylamino)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide

Systemtic Name: N-[1,2,3-trimethoxy-9-oxidanylidene-10-(2-sulfanylethylamino)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide Openeye Name: N-[1,2,3-trimethoxy-9-oxo-10-(2-sulfanylethylamino)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide CAS Name: N-[10-(2-mercaptoethylamino)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: N-[1,2,3-trimethoxy-9-oxo-10-(2-sulfanylethylamino)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Traditional Name: N-[9-keto-10-(2-mercaptoethylamino)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCS)OC)OC)OC

Isomeric SMILES

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCS)OC)OC)OC

InChI

InChI=1S/C23H28N2O5S/c1-13(26)25-17-7-5-14-11-20(28-2)22(29-3)23(30-4)21(14)15-6-8-18(24-9-10-31)19(27)12-16(15)17/h6,8,11-12,17,31H,5,7,9-10H2,1-4H3,(H,24,27)(H,25,26)