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

Systemtic Name: dimethyl 5-[3-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[3-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H24N4O5S2 MolecularWeight: 464.55836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCSC2=NN=C(N2CC=C)C3CC3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCSC2=NN=C(N2CC=C)C3CC3)C(=O)OC

InChI

InChI=1S/C20H24N4O5S2/c1-5-9-24-16(12-6-7-12)22-23-20(24)30-10-8-13(25)21-17-14(18(26)28-3)11(2)15(31-17)19(27)29-4/h5,12H,1,6-10H2,2-4H3,(H,21,25)