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

Systemtic Name: diethyl 5-[3-(benzotriazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-(benzotriazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(1-benzotriazolyl)-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-(benzotriazol-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-(benzotriazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCN2C3=CC=CC=C3N=N2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H22N4O5S/c1-4-28-19(26)16-12(3)17(20(27)29-5-2)30-18(16)21-15(25)10-11-24-14-9-7-6-8-13(14)22-23-24/h6-9H,4-5,10-11H2,1-3H3,(H,21,25)