ethyl 7-[3-(2-ethoxycarbonyl-4-oxidanylidene-8-propyl-chromen-7-yl)oxypropylsulfanyl]-4-oxidanylidene-8-propyl-1H-quinoline-2-carboxylate

Systemtic Name: ethyl 7-[3-(2-ethoxycarbonyl-4-oxidanylidene-8-propyl-chromen-7-yl)oxypropylsulfanyl]-4-oxidanylidene-8-propyl-1H-quinoline-2-carboxylate Openeye Name: ethyl 7-[3-(2-ethoxycarbonyl-4-oxo-8-propyl-chromen-7-yl)oxypropylsulfanyl]-4-oxo-8-propyl-1H-quinoline-2-carboxylate CAS Name: 7-[3-[(2-ethoxycarbonyl-4-oxo-8-propyl-1-benzopyran-7-yl)oxy]propylthio]-4-oxo-8-propyl-1H-quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-[3-(2-ethoxycarbonyl-4-oxo-8-propylchromen-7-yl)oxypropylsulfanyl]-4-oxo-8-propyl-1H-quinoline-2-carboxylate Traditional Name: 7-[3-(2-carbethoxy-4-keto-8-propyl-chromen-7-yl)oxypropylthio]-4-keto-8-propyl-1H-quinoline-2-carboxylic acid ethyl ester Formula: C33H37NO8S MolecularWeight: 607.71378

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=CC2=O)C(=O)OCC)OCCCSC3=C(C4=C(C=C3)C(=O)C=C(N4)C(=O)OCC)CCC

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=CC2=O)C(=O)OCC)OCCCSC3=C(C4=C(C=C3)C(=O)C=C(N4)C(=O)OCC)CCC

InChI

InChI=1S/C33H37NO8S/c1-5-10-22-27(14-12-21-26(36)19-28(42-31(21)22)33(38)40-8-4)41-16-9-17-43-29-15-13-20-25(35)18-24(32(37)39-7-3)34-30(20)23(29)11-6-2/h12-15,18-19H,5-11,16-17H2,1-4H3,(H,34,35)