prop-2-enyl 4-[7-methoxy-9-(2-sulfanylethylamino)acridin-2-yl]butanoate

Systemtic Name: prop-2-enyl 4-[7-methoxy-9-(2-sulfanylethylamino)acridin-2-yl]butanoate Openeye Name: allyl 4-[7-methoxy-9-(2-sulfanylethylamino)acridin-2-yl]butanoate CAS Name: 4-[9-(2-mercaptoethylamino)-7-methoxy-2-acridinyl]butanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-[7-methoxy-9-(2-sulfanylethylamino)acridin-2-yl]butanoate Traditional Name: 4-[9-(2-mercaptoethylamino)-7-methoxy-acridin-2-yl]butyric acid allyl ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C3=C(C=CC(=C3)CCCC(=O)OCC=C)N=C2C=C1)NCCS

Isomeric SMILES

COC1=CC2=C(C3=C(C=CC(=C3)CCCC(=O)OCC=C)N=C2C=C1)NCCS

InChI

InChI=1S/C23H26N2O3S/c1-3-12-28-22(26)6-4-5-16-7-9-20-18(14-16)23(24-11-13-29)19-15-17(27-2)8-10-21(19)25-20/h3,7-10,14-15,29H,1,4-6,11-13H2,2H3,(H,24,25)