2-[(3-azaniumyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)carbonylamino]ethanoate

Systemtic Name: 2-[(3-azaniumyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)carbonylamino]ethanoate Openeye Name: 2-[(3-azaniumyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)amino]acetate CAS Name: 2-[[(3-ammonio-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-oxomethyl]amino]acetate IUPAC Name: 2-[(3-azaniumyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)amino]acetate Traditional Name: 2-[(3-ammonio-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)amino]acetate Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C3C(=C(SC3=N2)C(=O)NCC(=O)[O-])[NH3+]

Isomeric SMILES

C1CCC2=C(C1)C=C3C(=C(SC3=N2)C(=O)NCC(=O)[O-])[NH3+]

InChI

InChI=1S/C14H15N3O3S/c15-11-8-5-7-3-1-2-4-9(7)17-14(8)21-12(11)13(20)16-6-10(18)19/h5H,1-4,6,15H2,(H,16,20)(H,18,19)