butyl [(7S)-7-formamido-1,2-dimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-3-yl] carbonate

Systemtic Name: butyl [(7S)-7-formamido-1,2-dimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-3-yl] carbonate Openeye Name: butyl [(7S)-7-formamido-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] carbonate CAS Name: carbonic acid butyl [(7S)-7-formamido-1,2-dimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] ester IUPAC Name: butyl [(7S)-7-formamido-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] carbonate Traditional Name: carbonic acid butyl [(7S)-7-formamido-9-keto-1,2-dimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-3-yl] ester Formula: C25H29NO7S MolecularWeight: 487.56526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)OC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC=O)OC)OC

Isomeric SMILES

CCCCOC(=O)OC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)NC=O)OC)OC

InChI

InChI=1S/C25H29NO7S/c1-5-6-11-32-25(29)33-20-12-15-7-9-18(26-14-27)17-13-19(28)21(34-4)10-8-16(17)22(15)24(31-3)23(20)30-2/h8,10,12-14,18H,5-7,9,11H2,1-4H3,(H,26,27)/t18-/m0/s1