ethyl 2-[2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C#N)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C#N)C(=O)OCC

InChI

InChI=1S/C19H21N3O5S2/c1-4-14-10-16(19(24)27-5-2)18(28-14)21-17(23)12-22(3)29(25,26)15-8-6-13(11-20)7-9-15/h6-10H,4-5,12H2,1-3H3,(H,21,23)