methyl 3-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[1-(m-tolyl)imidazol-2-yl]sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[[1-(3-methylphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[[1-(m-tolyl)imidazol-2-yl]thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CN=C2SCC(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CN=C2SCC(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C18H17N3O3S2/c1-12-4-3-5-13(10-12)21-8-7-19-18(21)26-11-15(22)20-14-6-9-25-16(14)17(23)24-2/h3-10H,11H2,1-2H3,(H,20,22)