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

Systemtic Name: ethyl 4-[(4R)-5-oxidanylidene-4-(2-oxidanylidene-2-phenylazanyl-ethyl)-3-(pyridin-2-ylmethyl)-2-sulfanylidene-imidazolidin-1-yl]benzoate Openeye Name: ethyl 4-[(4R)-4-(2-anilino-2-oxo-ethyl)-5-oxo-3-(2-pyridylmethyl)-2-thioxo-imidazolidin-1-yl]benzoate CAS Name: 4-[(4R)-4-(2-anilino-2-oxoethyl)-5-oxo-3-(2-pyridinylmethyl)-2-sulfanylidene-1-imidazolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4R)-4-(2-anilino-2-oxoethyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-1-yl]benzoate Traditional Name: 4-[(4R)-4-(2-anilino-2-keto-ethyl)-5-keto-3-(2-pyridylmethyl)-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CC3=CC=CC=N3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@H](N(C2=S)CC3=CC=CC=N3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H24N4O4S/c1-2-34-25(33)18-11-13-21(14-12-18)30-24(32)22(16-23(31)28-19-8-4-3-5-9-19)29(26(30)35)17-20-10-6-7-15-27-20/h3-15,22H,2,16-17H2,1H3,(H,28,31)/t22-/m1/s1