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

Systemtic Name: prop-2-enyl 4-[7-methoxy-9-[2-(phenylmethylsulfanyl)ethylamino]acridin-2-yl]butanoate Openeye Name: allyl 4-[9-(2-benzylsulfanylethylamino)-7-methoxy-acridin-2-yl]butanoate CAS Name: 4-[7-methoxy-9-[2-(phenylmethylthio)ethylamino]-2-acridinyl]butanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-[9-(2-benzylsulfanylethylamino)-7-methoxyacridin-2-yl]butanoate Traditional Name: 4-[9-[2-(benzylthio)ethylamino]-7-methoxy-acridin-2-yl]butyric acid allyl ester Formula: C30H32N2O3S MolecularWeight: 500.65168

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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)NCCSCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C3=C(C=CC(=C3)CCCC(=O)OCC=C)N=C2C=C1)NCCSCC4=CC=CC=C4

InChI

InChI=1S/C30H32N2O3S/c1-3-17-35-29(33)11-7-10-22-12-14-27-25(19-22)30(26-20-24(34-2)13-15-28(26)32-27)31-16-18-36-21-23-8-5-4-6-9-23/h3-6,8-9,12-15,19-20H,1,7,10-11,16-18,21H2,2H3,(H,31,32)