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

Systemtic Name: 5-nitro-7-[(S)-(propanoylamino)-thiophen-2-yl-methyl]quinolin-8-olate Openeye Name: 5-nitro-7-[(S)-(propanoylamino)-(2-thienyl)methyl]quinolin-8-olate CAS Name: 5-nitro-7-[(S)-(1-oxopropylamino)-thiophen-2-ylmethyl]-8-quinolinolate IUPAC Name: 5-nitro-7-[(S)-(propanoylamino)-thiophen-2-ylmethyl]quinolin-8-olate Traditional Name: 5-nitro-7-[(S)-propionamido(2-thienyl)methyl]quinolin-8-olate Formula: C17H14N3O4S- MolecularWeight: 356.37576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4S/c1-2-14(21)19-15(13-6-4-8-25-13)11-9-12(20(23)24)10-5-3-7-18-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,19,21)/p-1/t15-/m0/s1