ethyl 2-[[2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[2-(2-ethoxy-2-oxo-ethyl)sulfanyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl]sulfanyl]acetate CAS Name: 2-[[2-[(2-ethoxy-2-oxoethyl)thio]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-ethoxy-2-oxoethyl)sulfanyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl]sulfanyl]acetate Traditional Name: 2-[[2-[(2-ethoxy-2-keto-ethyl)thio]-6,7,8,9-tetrahydro-5H-pyrimid[4,5-b]indol-4-yl]thio]acetic acid ethyl ester Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=NC2=C1C3=C(N2)CCCC3)SCC(=O)OCC

Isomeric SMILES

CCOC(=O)CSC1=NC(=NC2=C1C3=C(N2)CCCC3)SCC(=O)OCC

InChI

InChI=1S/C18H23N3O4S2/c1-3-24-13(22)9-26-17-15-11-7-5-6-8-12(11)19-16(15)20-18(21-17)27-10-14(23)25-4-2/h3-10H2,1-2H3,(H,19,20,21)