methyl 4-(2,5-dimethylphenyl)-2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(2,5-dimethylphenyl)-2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2,5-dimethylphenyl)-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2,5-dimethylphenyl)-2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2,5-dimethylphenyl)-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(2,5-dimethylphenyl)-2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CSC(=C2C(=O)OC)NC(=O)CSC3=NC=CN3C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CSC(=C2C(=O)OC)NC(=O)CSC3=NC=CN3C

InChI

InChI=1S/C20H21N3O3S2/c1-12-5-6-13(2)14(9-12)15-10-27-18(17(15)19(25)26-4)22-16(24)11-28-20-21-7-8-23(20)3/h5-10H,11H2,1-4H3,(H,22,24)