1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-methyl-urea

Systemtic Name: 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-methyl-urea Openeye Name: 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-methyl-urea CAS Name: 1-[10-(ethylthio)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-3-methylurea IUPAC Name: 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-methylurea Traditional Name: 1-[10-(ethylthio)-9-keto-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-3-methyl-urea Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)NC

Isomeric SMILES

CCSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)NC

InChI

InChI=1S/C23H28N2O5S/c1-6-31-19-10-8-14-15(12-17(19)26)16(25-23(27)24-2)9-7-13-11-18(28-3)21(29-4)22(30-5)20(13)14/h8,10-12,16H,6-7,9H2,1-5H3,(H2,24,25,27)