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

Systemtic Name: methyl 5-[(3-methyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-keto-3-methyl-5H-pyrimid[5,4-b]indol-2-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=CC=C(O4)C(=O)OC

Isomeric SMILES

CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=CC=C(O4)C(=O)OC

InChI

InChI=1S/C18H15N3O4S/c1-21-16(22)15-14(11-5-3-4-6-12(11)19-15)20-18(21)26-9-10-7-8-13(25-10)17(23)24-2/h3-8,19H,9H2,1-2H3