ethyl 4-[[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioyl]amino]benzoate CAS Name: 4-[[[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioyl]amino]benzoate Traditional Name: 4-[[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioyl]amino]benzoic acid ethyl ester Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN3C=CC=C3C2C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN3C=CC=C3[C@H]2C

InChI

InChI=1S/C18H21N3O2S/c1-3-23-17(22)14-6-8-15(9-7-14)19-18(24)21-12-11-20-10-4-5-16(20)13(21)2/h4-10,13H,3,11-12H2,1-2H3,(H,19,24)/t13-/m1/s1