2-[(6-oxidanylidene-5H-phenanthridin-3-yl)carbonylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(6-oxidanylidene-5H-phenanthridin-3-yl)carbonylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(6-oxo-5H-phenanthridine-3-carbonyl)amino]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[[oxo-(6-oxo-5H-phenanthridin-3-yl)methyl]amino]propanoic acid IUPAC Name: 2-[(6-oxo-5H-phenanthridine-3-carbonyl)amino]-3-sulfanylpropanoic acid Traditional Name: 2-[(6-keto-5H-phenanthridine-3-carbonyl)amino]-3-mercapto-propionic acid Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(C=C(C=C3)C(=O)NC(CS)C(=O)O)NC2=O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(C=C(C=C3)C(=O)NC(CS)C(=O)O)NC2=O

InChI

InChI=1S/C17H14N2O4S/c20-15(19-14(8-24)17(22)23)9-5-6-11-10-3-1-2-4-12(10)16(21)18-13(11)7-9/h1-7,14,24H,8H2,(H,18,21)(H,19,20)(H,22,23)