methyl 3-ethylsulfanyl-2-[(1-nitroacridin-9-yl)amino]propanoate

Systemtic Name: methyl 3-ethylsulfanyl-2-[(1-nitroacridin-9-yl)amino]propanoate Openeye Name: methyl 3-ethylsulfanyl-2-[(1-nitroacridin-9-yl)amino]propanoate CAS Name: 3-(ethylthio)-2-[(1-nitro-9-acridinyl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-ethylsulfanyl-2-[(1-nitroacridin-9-yl)amino]propanoate Traditional Name: 3-(ethylthio)-2-[(1-nitroacridin-9-yl)amino]propionic acid methyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(C(=O)OC)NC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCSCC(C(=O)OC)NC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4S/c1-3-27-11-15(19(23)26-2)21-18-12-7-4-5-8-13(12)20-14-9-6-10-16(17(14)18)22(24)25/h4-10,15H,3,11H2,1-2H3,(H,20,21)