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

Systemtic Name: methyl 5-methyl-2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CSC2=NC=CN2C)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CSC2=NC=CN2C)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O3S2/c1-12-15(13-7-5-4-6-8-13)16(18(24)25-3)17(27-12)21-14(23)11-26-19-20-9-10-22(19)2/h4-10H,11H2,1-3H3,(H,21,23)