ethyl 2-[2-[2-[(6-bromanyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-4-methyl-1,3-thiazol-5-yl]ethanoate

Systemtic Name: ethyl 2-[2-[2-[(6-bromanyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-4-methyl-1,3-thiazol-5-yl]ethanoate Openeye Name: ethyl 2-[2-[[2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4-methyl-thiazol-5-yl]acetate CAS Name: 2-[2-[[2-[(6-bromo-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]-4-methyl-5-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[2-[(6-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4-methyl-1,3-thiazol-5-yl]acetate Traditional Name: 2-[2-[[2-[(6-bromo-1H-benzimidazol-2-yl)thio]acetyl]amino]-4-methyl-thiazol-5-yl]acetic acid ethyl ester Formula: C17H17BrN4O3S2 MolecularWeight: 469.37588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(N=C(S1)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)CC1=C(N=C(S1)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)Br)C

InChI

InChI=1S/C17H17BrN4O3S2/c1-3-25-15(24)7-13-9(2)19-17(27-13)22-14(23)8-26-16-20-11-5-4-10(18)6-12(11)21-16/h4-6H,3,7-8H2,1-2H3,(H,20,21)(H,19,22,23)