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

Systemtic Name: ethyl 4-[[2-methyl-3-(2-pyridin-4-ylethyl)indolizin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[2-methyl-3-[2-(4-pyridyl)ethyl]indolizine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[2-methyl-3-(2-pyridin-4-ylethyl)-1-indolizinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[2-methyl-3-[2-(4-pyridyl)ethyl]indolizine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)C2=C3C=CC=CN3C(=C2C)CCC4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)C2=C3C=CC=CN3C(=C2C)CCC4=CC=NC=C4

InChI

InChI=1S/C26H25N3O2S/c1-3-31-26(30)20-8-10-21(11-9-20)28-25(32)24-18(2)22(29-17-5-4-6-23(24)29)12-7-19-13-15-27-16-14-19/h4-6,8-11,13-17H,3,7,12H2,1-2H3,(H,28,32)