(phenylmethyl) 2-[(3-methyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(3-methyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetate CAS Name: 2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetate Traditional Name: 2-[(4-keto-3-methyl-5H-pyrimid[5,4-b]indol-2-yl)thio]acetic acid benzyl ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C20H17N3O3S/c1-23-19(25)18-17(14-9-5-6-10-15(14)21-18)22-20(23)27-12-16(24)26-11-13-7-3-2-4-8-13/h2-10,21H,11-12H2,1H3