propyl 4-[1-ethyl-5-(3-heptylsulfinylphenyl)-4-oxidanylidene-pyridin-3-yl]benzoate

Systemtic Name: propyl 4-[1-ethyl-5-(3-heptylsulfinylphenyl)-4-oxidanylidene-pyridin-3-yl]benzoate Openeye Name: propyl 4-[1-ethyl-5-(3-heptylsulfinylphenyl)-4-oxo-3-pyridyl]benzoate CAS Name: 4-[1-ethyl-5-(3-heptylsulfinylphenyl)-4-oxo-3-pyridinyl]benzoic acid propyl ester IUPAC Name: propyl 4-[1-ethyl-5-(3-heptylsulfinylphenyl)-4-oxopyridin-3-yl]benzoate Traditional Name: 4-[1-ethyl-5-(3-heptylsulfinylphenyl)-4-keto-3-pyridyl]benzoic acid propyl ester Formula: C30H37NO4S MolecularWeight: 507.68408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCS(=O)C1=CC=CC(=C1)C2=CN(C=C(C2=O)C3=CC=C(C=C3)C(=O)OCCC)CC

Isomeric SMILES

CCCCCCCS(=O)C1=CC=CC(=C1)C2=CN(C=C(C2=O)C3=CC=C(C=C3)C(=O)OCCC)CC

InChI

InChI=1S/C30H37NO4S/c1-4-7-8-9-10-19-36(34)26-13-11-12-25(20-26)28-22-31(6-3)21-27(29(28)32)23-14-16-24(17-15-23)30(33)35-18-5-2/h11-17,20-22H,4-10,18-19H2,1-3H3