ethyl (2S)-4-methylsulfanyl-2-[(1-nitroacridin-9-yl)amino]butanoate

Systemtic Name: ethyl (2S)-4-methylsulfanyl-2-[(1-nitroacridin-9-yl)amino]butanoate Openeye Name: ethyl (2S)-4-methylsulfanyl-2-[(1-nitroacridin-9-yl)amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[(1-nitro-9-acridinyl)amino]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-4-methylsulfanyl-2-[(1-nitroacridin-9-yl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(1-nitroacridin-9-yl)amino]butyric acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-3-27-20(24)16(11-12-28-2)22-19-13-7-4-5-8-14(13)21-15-9-6-10-17(18(15)19)23(25)26/h4-10,16H,3,11-12H2,1-2H3,(H,21,22)/t16-/m0/s1