ethyl 5-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-1-phenyl-imidazole-4-carboxylate

Systemtic Name: ethyl 5-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-1-phenyl-imidazole-4-carboxylate Openeye Name: ethyl 5-[(3-chlorobenzothiophene-2-carbonyl)amino]-1-phenyl-imidazole-4-carboxylate CAS Name: 5-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-1-phenyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1-phenylimidazole-4-carboxylate Traditional Name: 5-[(3-chlorobenzothiophene-2-carbonyl)amino]-1-phenyl-imidazole-4-carboxylic acid ethyl ester Formula: C21H16ClN3O3S MolecularWeight: 425.88804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C=N1)C2=CC=CC=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCOC(=O)C1=C(N(C=N1)C2=CC=CC=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H16ClN3O3S/c1-2-28-21(27)17-19(25(12-23-17)13-8-4-3-5-9-13)24-20(26)18-16(22)14-10-6-7-11-15(14)29-18/h3-12H,2H2,1H3,(H,24,26)