ethyl 4-(furan-2-yl)-2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(furan-2-yl)-2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(2-furyl)-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-furanyl)-2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(furan-2-yl)-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(2-furyl)-2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=O)CSC3=NC=CN3C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=O)CSC3=NC=CN3C

InChI

InChI=1S/C17H17N3O4S2/c1-3-23-16(22)14-11(12-5-4-8-24-12)9-25-15(14)19-13(21)10-26-17-18-6-7-20(17)2/h4-9H,3,10H2,1-2H3,(H,19,21)