O4-tert-butyl O2-ethyl 5-[2-(1-cyclopropylimidazol-2-yl)sulfanylethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-tert-butyl O2-ethyl 5-[2-(1-cyclopropylimidazol-2-yl)sulfanylethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-tert-butyl O2-ethyl 5-[[2-(1-cyclopropylimidazol-2-yl)sulfanylacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[(1-cyclopropyl-2-imidazolyl)thio]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-tert-butyl ester O2-ethyl ester IUPAC Name: 4-O-tert-butyl 2-O-ethyl 5-[[2-(1-cyclopropylimidazol-2-yl)sulfanylacetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[(1-cyclopropylimidazol-2-yl)thio]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-tert-butyl ester O2-ethyl ester Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC=CN2C3CC3)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC=CN2C3CC3)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C21H27N3O5S2/c1-6-28-19(27)16-12(2)15(18(26)29-21(3,4)5)17(31-16)23-14(25)11-30-20-22-9-10-24(20)13-7-8-13/h9-10,13H,6-8,11H2,1-5H3,(H,23,25)