diethyl 5-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(1,3-benzoxazol-2-ylthio)-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-(1,3-benzoxazol-2-ylthio)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H22N2O6S2 MolecularWeight: 462.53918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C21H22N2O6S2/c1-4-27-19(25)16-12(3)17(20(26)28-5-2)31-18(16)23-15(24)10-11-30-21-22-13-8-6-7-9-14(13)29-21/h6-9H,4-5,10-11H2,1-3H3,(H,23,24)