3-(2-methoxyethyl)-2-[(E)-3-phenylprop-2-enyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(2-methoxyethyl)-2-[(E)-3-phenylprop-2-enyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[(E)-cinnamyl]sulfanyl-3-(2-methoxyethyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2-methoxyethyl)-2-[[(E)-3-phenylprop-2-enyl]thio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2-methoxyethyl)-2-[(E)-3-phenylprop-2-enyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[[(E)-cinnamyl]thio]-3-(2-methoxyethyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC=CC4=CC=CC=C4

Isomeric SMILES

COCCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SC/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S/c1-27-14-13-25-21(26)20-19(17-11-5-6-12-18(17)23-20)24-22(25)28-15-7-10-16-8-3-2-4-9-16/h2-12,23H,13-15H2,1H3/b10-7+