3-[7-[3-(3-azanyl-4-ethanoyl-2-propyl-phenyl)sulfanylpropoxy]-4-oxidanylidene-8-propyl-chromen-2-yl]propanoic acid

Systemtic Name: 3-[7-[3-(3-azanyl-4-ethanoyl-2-propyl-phenyl)sulfanylpropoxy]-4-oxidanylidene-8-propyl-chromen-2-yl]propanoic acid Openeye Name: 3-[7-[3-(4-acetyl-3-amino-2-propyl-phenyl)sulfanylpropoxy]-4-oxo-8-propyl-chromen-2-yl]propanoic acid CAS Name: 3-[7-[3-[(4-acetyl-3-amino-2-propylphenyl)thio]propoxy]-4-oxo-8-propyl-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[7-[3-(4-acetyl-3-amino-2-propylphenyl)sulfanylpropoxy]-4-oxo-8-propylchromen-2-yl]propanoic acid Traditional Name: 3-[7-[3-[(4-acetyl-3-amino-2-propyl-phenyl)thio]propoxy]-4-keto-8-propyl-chromen-2-yl]propionic acid Formula: C29H35NO6S MolecularWeight: 525.6563

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=CC2=O)CCC(=O)O)OCCCSC3=C(C(=C(C=C3)C(=O)C)N)CCC

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=CC2=O)CCC(=O)O)OCCCSC3=C(C(=C(C=C3)C(=O)C)N)CCC

InChI

InChI=1S/C29H35NO6S/c1-4-7-22-25(12-10-21-24(32)17-19(36-29(21)22)9-14-27(33)34)35-15-6-16-37-26-13-11-20(18(3)31)28(30)23(26)8-5-2/h10-13,17H,4-9,14-16,30H2,1-3H3,(H,33,34)