S-[3-(2-methylpropyl)-4-oxidanylidene-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-1-yl] benzenecarbothioate

Systemtic Name: S-[3-(2-methylpropyl)-4-oxidanylidene-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-1-yl] benzenecarbothioate Openeye Name: S-(3-isobutyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-1-yl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-(2-methylpropyl)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-1-yl] ester IUPAC Name: S-[3-(2-methylpropyl)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-1-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-(3-isobutyl-4-keto-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-1-yl) ester Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=C2CCCN2C1=O)SC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=NC(=C2CCCN2C1=O)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20N2O2S/c1-12(2)11-14-17(21)20-10-6-9-15(20)16(19-14)23-18(22)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3