2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]propanoic acid

Systemtic Name: 2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]propanoic acid Openeye Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]propanoic acid CAS Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]propanoic acid IUPAC Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]propanoic acid Traditional Name: 2-[(3-ethyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]propionic acid Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SC(C)C(=O)O

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SC(C)C(=O)O

InChI

InChI=1S/C15H15N3O3S/c1-3-18-13(19)12-11(9-6-4-5-7-10(9)16-12)17-15(18)22-8(2)14(20)21/h4-8,16H,3H2,1-2H3,(H,20,21)