7-[(S)-(2-methylpropanoylamino)-thiophen-2-yl-methyl]-5-nitro-quinolin-8-olate

Systemtic Name: 7-[(S)-(2-methylpropanoylamino)-thiophen-2-yl-methyl]-5-nitro-quinolin-8-olate Openeye Name: 7-[(S)-(2-methylpropanoylamino)-(2-thienyl)methyl]-5-nitro-quinolin-8-olate CAS Name: 7-[(S)-[(2-methyl-1-oxopropyl)amino]-thiophen-2-ylmethyl]-5-nitro-8-quinolinolate IUPAC Name: 7-[(S)-(2-methylpropanoylamino)-thiophen-2-ylmethyl]-5-nitroquinolin-8-olate Traditional Name: 7-[(S)-(isobutyrylamino)-(2-thienyl)methyl]-5-nitro-quinolin-8-olate Formula: C18H16N3O4S- MolecularWeight: 370.40234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(C1=CC=CS1)C2=CC(=C3C=CC=NC3=C2[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N[C@H](C1=CC=CS1)C2=CC(=C3C=CC=NC3=C2[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4S/c1-10(2)18(23)20-15(14-6-4-8-26-14)12-9-13(21(24)25)11-5-3-7-19-16(11)17(12)22/h3-10,15,22H,1-2H3,(H,20,23)/p-1/t15-/m0/s1