ethyl 4-[[3-(2-cyanoethyl)-2-methyl-indolizin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[3-(2-cyanoethyl)-2-methyl-indolizin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[3-(2-cyanoethyl)-2-methyl-indolizine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[3-(2-cyanoethyl)-2-methyl-1-indolizinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(2-cyanoethyl)-2-methylindolizine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[3-(2-cyanoethyl)-2-methyl-indolizine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)C2=C3C=CC=CN3C(=C2C)CCC#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)C2=C3C=CC=CN3C(=C2C)CCC#N

InChI

InChI=1S/C22H21N3O2S/c1-3-27-22(26)16-9-11-17(12-10-16)24-21(28)20-15(2)18(8-6-13-23)25-14-5-4-7-19(20)25/h4-5,7,9-12,14H,3,6,8H2,1-2H3,(H,24,28)