[7-(2-ethoxyethanoylamino)-1,2-dimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-3-yl] 2-ethoxyethanoate

Systemtic Name: [7-(2-ethoxyethanoylamino)-1,2-dimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-3-yl] 2-ethoxyethanoate Openeye Name: [7-[(2-ethoxyacetyl)amino]-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] 2-ethoxyacetate CAS Name: 2-ethoxyacetic acid [7-[(2-ethoxy-1-oxoethyl)amino]-1,2-dimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] ester IUPAC Name: [7-[(2-ethoxyacetyl)amino]-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] 2-ethoxyacetate Traditional Name: 2-ethoxyacetic acid [7-[(2-ethoxyacetyl)amino]-9-keto-1,2-dimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-3-yl] ester Formula: C27H33NO8S MolecularWeight: 531.61782

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC(=O)COCC

Isomeric SMILES

CCOCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC(=O)COCC

InChI

InChI=1S/C27H33NO8S/c1-6-34-14-23(30)28-19-10-8-16-12-21(36-24(31)15-35-7-2)26(32-3)27(33-4)25(16)17-9-11-22(37-5)20(29)13-18(17)19/h9,11-13,19H,6-8,10,14-15H2,1-5H3,(H,28,30)