methyl 5-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(3-ethyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=CC=C(O4)C(=O)OC

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=CC=C(O4)C(=O)OC

InChI

InChI=1S/C19H17N3O4S/c1-3-22-17(23)16-15(12-6-4-5-7-13(12)20-16)21-19(22)27-10-11-8-9-14(26-11)18(24)25-2/h4-9,20H,3,10H2,1-2H3