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

Systemtic Name: (2R)-2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]butanoate Openeye Name: (2R)-2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]butanoate CAS Name: (2R)-2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]butanoate IUPAC Name: (2R)-2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]butanoate Traditional Name: (2R)-2-[(3-ethyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]butyrate Formula: C16H16N3O3S- MolecularWeight: 330.38154

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=NC2=C(C(=O)N1CC)NC3=CC=CC=C32

Isomeric SMILES

CC[C@H](C(=O)[O-])SC1=NC2=C(C(=O)N1CC)NC3=CC=CC=C32

InChI

InChI=1S/C16H17N3O3S/c1-3-11(15(21)22)23-16-18-12-9-7-5-6-8-10(9)17-13(12)14(20)19(16)4-2/h5-8,11,17H,3-4H2,1-2H3,(H,21,22)/p-1/t11-/m1/s1