ethyl 4-[2-[1-methyl-5-oxidanylidene-3-(pyridin-2-ylcarbonylamino)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[1-methyl-5-oxidanylidene-3-(pyridin-2-ylcarbonylamino)-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-methyl-5-oxo-3-(pyridine-2-carbonylamino)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[1-methyl-5-oxo-3-[[oxo(2-pyridinyl)methyl]amino]-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-methyl-5-oxo-3-(pyridine-2-carbonylamino)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-(5-keto-1-methyl-3-picolinamido-2-thioxo-imidazolidin-4-yl)acetyl]amino]benzoic acid ethyl ester Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2NC(=O)C3=CC=CC=N3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2NC(=O)C3=CC=CC=N3)C

InChI

InChI=1S/C21H21N5O5S/c1-3-31-20(30)13-7-9-14(10-8-13)23-17(27)12-16-19(29)25(2)21(32)26(16)24-18(28)15-6-4-5-11-22-15/h4-11,16H,3,12H2,1-2H3,(H,23,27)(H,24,28)