O-butyl 2-(2-methoxy-6-nitro-acridin-9-yl)ethanethioate

Systemtic Name: O-butyl 2-(2-methoxy-6-nitro-acridin-9-yl)ethanethioate Openeye Name: O-butyl 2-(2-methoxy-6-nitro-acridin-9-yl)ethanethioate CAS Name: 2-(2-methoxy-6-nitro-9-acridinyl)ethanethioic acid O-butyl ester IUPAC Name: O-butyl 2-(2-methoxy-6-nitroacridin-9-yl)ethanethioate Traditional Name: 2-(2-methoxy-6-nitro-acridin-9-yl)ethanethioic acid O-butyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=S)CC1=C2C=CC(=CC2=NC3=C1C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=S)CC1=C2C=CC(=CC2=NC3=C1C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O4S/c1-3-4-9-26-20(27)12-16-15-7-5-13(22(23)24)10-19(15)21-18-8-6-14(25-2)11-17(16)18/h5-8,10-11H,3-4,9,12H2,1-2H3