ethyl 2-[2-[(4-cyanophenyl)methylsulfonyl-methyl-amino]ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(4-cyanophenyl)methylsulfonyl-methyl-amino]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(4-cyanophenyl)methylsulfonyl-methyl-amino]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-cyanophenyl)methylsulfonyl-methylamino]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-cyanophenyl)methylsulfonyl-methylamino]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-cyanobenzyl)sulfonyl-methyl-amino]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H23N3O5S2 MolecularWeight: 497.58652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN(C)S(=O)(=O)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN(C)S(=O)(=O)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H23N3O5S2/c1-3-32-24(29)22-20(19-7-5-4-6-8-19)15-33-23(22)26-21(28)14-27(2)34(30,31)16-18-11-9-17(13-25)10-12-18/h4-12,15H,3,14,16H2,1-2H3,(H,26,28)