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

Systemtic Name: methyl (2R)-3-ethylsulfanyl-2-[(1-nitroacridin-9-yl)amino]propanoate hydrochloride Openeye Name: methyl (2R)-3-ethylsulfanyl-2-[(1-nitroacridin-9-yl)amino]propanoate hydrochloride CAS Name: (2R)-3-(ethylthio)-2-[(1-nitro-9-acridinyl)amino]propanoic acid methyl ester hydrochloride IUPAC Name: methyl (2R)-3-ethylsulfanyl-2-[(1-nitroacridin-9-yl)amino]propanoate hydrochloride Traditional Name: (2R)-3-(ethylthio)-2-[(1-nitroacridin-9-yl)amino]propionic acid methyl ester hydrochloride Formula: C19H20ClN3O4S MolecularWeight: 421.8978

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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-].Cl

Isomeric SMILES

CCSC[C@@H](C(=O)OC)NC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-].Cl

InChI

InChI=1S/C19H19N3O4S.ClH/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);1H/t15-;/m0./s1