methyl 3-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[[1-(4-methoxyphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[[1-(4-methoxyphenyl)imidazol-2-yl]thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC=CN2C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC=CN2C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21N3O4S/c1-14-4-5-15(20(26)28-3)12-18(14)23-19(25)13-29-21-22-10-11-24(21)16-6-8-17(27-2)9-7-16/h4-12H,13H2,1-3H3,(H,23,25)