ethyl 1-[4-[[2-[(2-carbamimidoyl-1-benzothiophen-4-yl)oxy]-2-phenyl-ethanoyl]amino]phenyl]imidazole-2-carboxylate

Systemtic Name: ethyl 1-[4-[[2-[(2-carbamimidoyl-1-benzothiophen-4-yl)oxy]-2-phenyl-ethanoyl]amino]phenyl]imidazole-2-carboxylate Openeye Name: ethyl 1-[4-[[2-(2-carbamimidoylbenzothiophen-4-yl)oxy-2-phenyl-acetyl]amino]phenyl]imidazole-2-carboxylate CAS Name: 1-[4-[[2-[(2-carbamimidoyl-1-benzothiophen-4-yl)oxy]-1-oxo-2-phenylethyl]amino]phenyl]-2-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[2-[(2-carbamimidoyl-1-benzothiophen-4-yl)oxy]-2-phenylacetyl]amino]phenyl]imidazole-2-carboxylate Traditional Name: 1-[4-[[2-(2-amidinobenzothiophen-4-yl)oxy-2-phenyl-acetyl]amino]phenyl]imidazole-2-carboxylic acid ethyl ester Formula: C29H25N5O4S MolecularWeight: 539.6049

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC=CN1C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)OC4=C5C=C(SC5=CC=C4)C(=N)N

Isomeric SMILES

CCOC(=O)C1=NC=CN1C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)OC4=C5C=C(SC5=CC=C4)C(=N)N

InChI

InChI=1S/C29H25N5O4S/c1-2-37-29(36)27-32-15-16-34(27)20-13-11-19(12-14-20)33-28(35)25(18-7-4-3-5-8-18)38-22-9-6-10-23-21(22)17-24(39-23)26(30)31/h3-17,25H,2H2,1H3,(H3,30,31)(H,33,35)