methyl 4-[[2-oxidanylidene-2-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethylamino]ethanoyl]amino]benzoate

Systemtic Name: methyl 4-[[2-oxidanylidene-2-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethylamino]ethanoyl]amino]benzoate Openeye Name: methyl 4-[[2-oxo-2-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethylamino]acetyl]amino]benzoate CAS Name: 4-[[1,2-dioxo-2-[2-[(5-phenyl-1H-imidazol-2-yl)thio]ethylamino]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-oxo-2-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-keto-2-[2-[(5-phenyl-1H-imidazol-2-yl)thio]ethylamino]acetyl]amino]benzoic acid methyl ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCCSC2=NC=C(N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCCSC2=NC=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O4S/c1-29-20(28)15-7-9-16(10-8-15)24-19(27)18(26)22-11-12-30-21-23-13-17(25-21)14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,22,26)(H,23,25)(H,24,27)