[3-methanoyloxy-4-[1-methyl-5-[3-(3-phenylpropoxy)phenyl]-4-sulfanylidene-pyridin-3-yl]phenyl] methanoate

Systemtic Name: [3-methanoyloxy-4-[1-methyl-5-[3-(3-phenylpropoxy)phenyl]-4-sulfanylidene-pyridin-3-yl]phenyl] methanoate Openeye Name: [3-formyloxy-4-[1-methyl-5-[3-(3-phenylpropoxy)phenyl]-4-thioxo-3-pyridyl]phenyl] formate CAS Name: formic acid [3-formyloxy-4-[1-methyl-5-[3-(3-phenylpropoxy)phenyl]-4-sulfanylidene-3-pyridinyl]phenyl] ester IUPAC Name: [3-formyloxy-4-[1-methyl-5-[3-(3-phenylpropoxy)phenyl]-4-sulfanylidenepyridin-3-yl]phenyl] formate Traditional Name: formic acid [3-formyloxy-4-[1-methyl-5-[3-(3-phenylpropoxy)phenyl]-4-thioxo-3-pyridyl]phenyl] ester Formula: C29H25NO5S MolecularWeight: 499.5775

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=S)C(=C1)C2=C(C=C(C=C2)OC=O)OC=O)C3=CC(=CC=C3)OCCCC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C(=S)C(=C1)C2=C(C=C(C=C2)OC=O)OC=O)C3=CC(=CC=C3)OCCCC4=CC=CC=C4

InChI

InChI=1S/C29H25NO5S/c1-30-17-26(22-10-5-11-23(15-22)33-14-6-9-21-7-3-2-4-8-21)29(36)27(18-30)25-13-12-24(34-19-31)16-28(25)35-20-32/h2-5,7-8,10-13,15-20H,6,9,14H2,1H3