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

Systemtic Name: (phenylmethyl) 2-[(4-oxidanylidene-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[(3-allyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetate CAS Name: 2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-allyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]acetic acid benzyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O3S/c1-2-12-25-21(27)20-19(16-10-6-7-11-17(16)23-20)24-22(25)29-14-18(26)28-13-15-8-4-3-5-9-15/h2-11,23H,1,12-14H2