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

Systemtic Name: ethyl 2-[2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H19N3O5S3 MolecularWeight: 489.58766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H19N3O5S3/c1-3-29-21(26)19-16(17-5-4-10-30-17)13-31-20(19)23-18(25)12-24(2)32(27,28)15-8-6-14(11-22)7-9-15/h4-10,13H,3,12H2,1-2H3,(H,23,25)