ethyl 3-methyl-5-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]-4-thiocyanato-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-4-thiocyanatothiophene-2-carboxylate Traditional Name: 3-methyl-4-thiocyanato-5-[(1-tosylprolyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C21H23N3O5S3 MolecularWeight: 493.61942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)C)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)C)SC#N)C

InChI

InChI=1S/C21H23N3O5S3/c1-4-29-21(26)18-14(3)17(30-12-22)20(31-18)23-19(25)16-6-5-11-24(16)32(27,28)15-9-7-13(2)8-10-15/h7-10,16H,4-6,11H2,1-3H3,(H,23,25)