ethyl 2-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-[4-[(1S)-1-methylpropyl]phenyl]-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 2-[[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-keto-2-[4-[(1S)-1-methylpropyl]phenyl]ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C24H28N2O3S MolecularWeight: 424.55572

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2CC)C=CC(=C3)C(=O)OCC

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2CC)C=CC(=C3)C(=O)OCC

InChI

InChI=1S/C24H28N2O3S/c1-5-16(4)17-8-10-18(11-9-17)22(27)15-30-24-25-20-14-19(23(28)29-7-3)12-13-21(20)26(24)6-2/h8-14,16H,5-7,15H2,1-4H3/t16-/m0/s1