7-[3-(3-azanyl-4-ethanoyl-2-propyl-phenyl)sulfanylpropoxy]-4-oxidanylidene-8-propyl-chromene-2-carboxylic acid

Systemtic Name: 7-[3-(3-azanyl-4-ethanoyl-2-propyl-phenyl)sulfanylpropoxy]-4-oxidanylidene-8-propyl-chromene-2-carboxylic acid Openeye Name: 7-[3-(4-acetyl-3-amino-2-propyl-phenyl)sulfanylpropoxy]-4-oxo-8-propyl-chromene-2-carboxylic acid CAS Name: 7-[3-[(4-acetyl-3-amino-2-propylphenyl)thio]propoxy]-4-oxo-8-propyl-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[3-(4-acetyl-3-amino-2-propylphenyl)sulfanylpropoxy]-4-oxo-8-propylchromene-2-carboxylic acid Traditional Name: 7-[3-[(4-acetyl-3-amino-2-propyl-phenyl)thio]propoxy]-4-keto-8-propyl-chromene-2-carboxylic acid Formula: C27H31NO6S MolecularWeight: 497.60314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO6S/c1-4-7-19-22(11-9-18-21(30)15-23(27(31)32)34-26(18)19)33-13-6-14-35-24-12-10-17(16(3)29)25(28)20(24)8-5-2/h9-12,15H,4-8,13-14,28H2,1-3H3,(H,31,32)