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

Systemtic Name: methyl 5-[(4-oxidanylidene-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-keto-3-phenyl-5H-pyrimid[5,4-b]indol-2-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C23H17N3O4S MolecularWeight: 431.46378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)NC5=CC=CC=C53

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)NC5=CC=CC=C53

InChI

InChI=1S/C23H17N3O4S/c1-29-22(28)18-12-11-15(30-18)13-31-23-25-19-16-9-5-6-10-17(16)24-20(19)21(27)26(23)14-7-3-2-4-8-14/h2-12,24H,13H2,1H3