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

Systemtic Name: ethyl 7-[3-(3-azanyl-4-ethanoyl-2-propyl-phenyl)sulfanylpropoxy]-4-oxidanylidene-8-propyl-chromene-2-carboxylate Openeye Name: ethyl 7-[3-(4-acetyl-3-amino-2-propyl-phenyl)sulfanylpropoxy]-4-oxo-8-propyl-chromene-2-carboxylate CAS Name: 7-[3-[(4-acetyl-3-amino-2-propylphenyl)thio]propoxy]-4-oxo-8-propyl-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-[3-(4-acetyl-3-amino-2-propylphenyl)sulfanylpropoxy]-4-oxo-8-propylchromene-2-carboxylate Traditional Name: 7-[3-[(4-acetyl-3-amino-2-propyl-phenyl)thio]propoxy]-4-keto-8-propyl-chromene-2-carboxylic acid ethyl ester Formula: C29H35NO6S MolecularWeight: 525.6563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35NO6S/c1-5-9-21-24(13-11-20-23(32)17-25(36-28(20)21)29(33)34-7-3)35-15-8-16-37-26-14-12-19(18(4)31)27(30)22(26)10-6-2/h11-14,17H,5-10,15-16,30H2,1-4H3