ethyl 5-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[[4-(3,5-dimethylpiperidino)sulfonylbenzoyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C23H27N3O5S3 MolecularWeight: 521.67258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC(CC(C3)C)C)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC(CC(C3)C)C)SC#N)C

InChI

InChI=1S/C23H27N3O5S3/c1-5-31-23(28)20-16(4)19(32-13-24)22(33-20)25-21(27)17-6-8-18(9-7-17)34(29,30)26-11-14(2)10-15(3)12-26/h6-9,14-15H,5,10-12H2,1-4H3,(H,25,27)