ethyl 1-(5-chloranyl-4-methyl-1,3-thiazol-2-yl)-5-(phenylmethyl)sulfinyl-imidazole-4-carboxylate

Systemtic Name: ethyl 1-(5-chloranyl-4-methyl-1,3-thiazol-2-yl)-5-(phenylmethyl)sulfinyl-imidazole-4-carboxylate Openeye Name: ethyl 5-benzylsulfinyl-1-(5-chloro-4-methyl-thiazol-2-yl)imidazole-4-carboxylate CAS Name: 1-(5-chloro-4-methyl-2-thiazolyl)-5-(phenylmethyl)sulfinyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzylsulfinyl-1-(5-chloro-4-methyl-1,3-thiazol-2-yl)imidazole-4-carboxylate Traditional Name: 5-benzylsulfinyl-1-(5-chloro-4-methyl-thiazol-2-yl)imidazole-4-carboxylic acid ethyl ester Formula: C17H16ClN3O3S2 MolecularWeight: 409.91024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C=N1)C2=NC(=C(S2)Cl)C)S(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(C=N1)C2=NC(=C(S2)Cl)C)S(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H16ClN3O3S2/c1-3-24-16(22)13-15(26(23)9-12-7-5-4-6-8-12)21(10-19-13)17-20-11(2)14(18)25-17/h4-8,10H,3,9H2,1-2H3