2-[(1-azanylisoquinolin-7-yl)carbonyl-thiophen-2-yl-amino]ethanoic acid

Systemtic Name: 2-[(1-azanylisoquinolin-7-yl)carbonyl-thiophen-2-yl-amino]ethanoic acid Openeye Name: 2-[(1-aminoisoquinoline-7-carbonyl)-(2-thienyl)amino]acetic acid CAS Name: 2-[[(1-amino-7-isoquinolinyl)-oxomethyl]-thiophen-2-ylamino]acetic acid IUPAC Name: 2-[(1-aminoisoquinoline-7-carbonyl)-thiophen-2-ylamino]acetic acid Traditional Name: 2-[(1-aminoisoquinoline-7-carbonyl)-(2-thienyl)amino]acetic acid Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)N(CC(=O)O)C(=O)C2=CC3=C(C=C2)C=CN=C3N

Isomeric SMILES

C1=CSC(=C1)N(CC(=O)O)C(=O)C2=CC3=C(C=C2)C=CN=C3N

InChI

InChI=1S/C16H13N3O3S/c17-15-12-8-11(4-3-10(12)5-6-18-15)16(22)19(9-14(20)21)13-2-1-7-23-13/h1-8H,9H2,(H2,17,18)(H,20,21)