ethyl 4-[4-(2-azanyl-2-oxidanylidene-ethyl)-5-oxidanylidene-3-(pyridin-3-ylmethyl)-2-sulfanylidene-imidazolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-(2-azanyl-2-oxidanylidene-ethyl)-5-oxidanylidene-3-(pyridin-3-ylmethyl)-2-sulfanylidene-imidazolidin-1-yl]benzoate Openeye Name: ethyl 4-[4-(2-amino-2-oxo-ethyl)-5-oxo-3-(3-pyridylmethyl)-2-thioxo-imidazolidin-1-yl]benzoate CAS Name: 4-[4-(2-amino-2-oxoethyl)-5-oxo-3-(3-pyridinylmethyl)-2-sulfanylidene-1-imidazolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-amino-2-oxoethyl)-5-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-1-yl]benzoate Traditional Name: 4-[4-(2-amino-2-keto-ethyl)-5-keto-3-(3-pyridylmethyl)-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CC3=CN=CC=C3)CC(=O)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CC3=CN=CC=C3)CC(=O)N

InChI

InChI=1S/C20H20N4O4S/c1-2-28-19(27)14-5-7-15(8-6-14)24-18(26)16(10-17(21)25)23(20(24)29)12-13-4-3-9-22-11-13/h3-9,11,16H,2,10,12H2,1H3,(H2,21,25)