[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate

Systemtic Name: [2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate Openeye Name: [2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-[(methylthio)methyl]-1-benzimidazolyl]acetic acid [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetic acid [2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)CN2C3=CC=CC=C3N=C2CSC

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)CN2C3=CC=CC=C3N=C2CSC

InChI

InChI=1S/C23H27N3O3S/c1-15(2)17-9-7-8-16(3)23(17)25-21(27)13-29-22(28)12-26-19-11-6-5-10-18(19)24-20(26)14-30-4/h5-11,15H,12-14H2,1-4H3,(H,25,27)