dimethyl 5-[3-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[3-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[3-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H20N4O5S2 MolecularWeight: 424.4945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCSC2=NN=CN2C3CC3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCSC2=NN=CN2C3CC3)C(=O)OC

InChI

InChI=1S/C17H20N4O5S2/c1-9-12(15(23)25-2)14(28-13(9)16(24)26-3)19-11(22)6-7-27-17-20-18-8-21(17)10-4-5-10/h8,10H,4-7H2,1-3H3,(H,19,22)