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

Systemtic Name: 2-[[3-(2-methoxyethyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]butanoic acid Openeye Name: 2-[[3-(2-methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]butanoic acid CAS Name: 2-[[3-(2-methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]butanoic acid IUPAC Name: 2-[[3-(2-methoxyethyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]butanoic acid Traditional Name: 2-[[4-keto-3-(2-methoxyethyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]butyric acid Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NC2=C(C(=O)N1CCOC)NC3=CC=CC=C32

Isomeric SMILES

CCC(C(=O)O)SC1=NC2=C(C(=O)N1CCOC)NC3=CC=CC=C32

InChI

InChI=1S/C17H19N3O4S/c1-3-12(16(22)23)25-17-19-13-10-6-4-5-7-11(10)18-14(13)15(21)20(17)8-9-24-2/h4-7,12,18H,3,8-9H2,1-2H3,(H,22,23)