(2S)-4-methylsulfanyl-2-[(1-nitroacridin-9-yl)amino]butanoic acid hydrochloride

Systemtic Name: (2S)-4-methylsulfanyl-2-[(1-nitroacridin-9-yl)amino]butanoic acid hydrochloride Openeye Name: (2S)-4-methylsulfanyl-2-[(1-nitroacridin-9-yl)amino]butanoic acid hydrochloride CAS Name: (2S)-4-(methylthio)-2-[(1-nitro-9-acridinyl)amino]butanoic acid hydrochloride IUPAC Name: (2S)-4-methylsulfanyl-2-[(1-nitroacridin-9-yl)amino]butanoic acid hydrochloride Traditional Name: (2S)-4-(methylthio)-2-[(1-nitroacridin-9-yl)amino]butyric acid hydrochloride Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-].Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S.ClH/c1-26-10-9-14(18(22)23)20-17-11-5-2-3-6-12(11)19-13-7-4-8-15(16(13)17)21(24)25;/h2-8,14H,9-10H2,1H3,(H,19,20)(H,22,23);1H/t14-;/m0./s1