(2R)-2-azaniumyl-3-(2-oxidanylidene-3-thiophen-2-yl-1H-quinolin-6-yl)propanoate

Systemtic Name: (2R)-2-azaniumyl-3-(2-oxidanylidene-3-thiophen-2-yl-1H-quinolin-6-yl)propanoate Openeye Name: (2R)-2-azaniumyl-3-[2-oxo-3-(2-thienyl)-1H-quinolin-6-yl]propanoate CAS Name: (2R)-2-ammonio-3-(2-oxo-3-thiophen-2-yl-1H-quinolin-6-yl)propanoate IUPAC Name: (2R)-2-azaniumyl-3-(2-oxo-3-thiophen-2-yl-1H-quinolin-6-yl)propanoate Traditional Name: (2R)-2-ammonio-3-[2-keto-3-(2-thienyl)-1H-quinolin-6-yl]propionate Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC3=C(C=CC(=C3)CC(C(=O)[O-])[NH3+])NC2=O

Isomeric SMILES

C1=CSC(=C1)C2=CC3=C(C=CC(=C3)C[C@H](C(=O)[O-])[NH3+])NC2=O

InChI

InChI=1S/C16H14N2O3S/c17-12(16(20)21)7-9-3-4-13-10(6-9)8-11(15(19)18-13)14-2-1-5-22-14/h1-6,8,12H,7,17H2,(H,18,19)(H,20,21)/t12-/m1/s1