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

Systemtic Name: 2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetic acid CAS Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]acetic acid IUPAC Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(3-ethyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]acetic acid Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)O

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)O

InChI

InChI=1S/C14H13N3O3S/c1-2-17-13(20)12-11(16-14(17)21-7-10(18)19)8-5-3-4-6-9(8)15-12/h3-6,15H,2,7H2,1H3,(H,18,19)