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

Systemtic Name: (2R)-2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]propanoate Openeye Name: (2R)-2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]propanoate CAS Name: (2R)-2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]propanoate IUPAC Name: (2R)-2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]propanoate Traditional Name: (2R)-2-[(3-ethyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]propionate Formula: C15H14N3O3S- MolecularWeight: 316.35496

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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=C1S[C@H](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)/p-1/t8-/m1/s1