ethyl 6-[3-[(4-tert-butylphenyl)sulfonylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[3-[(4-tert-butylphenyl)sulfonylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-[(4-tert-butylphenyl)sulfonylamino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[(4-tert-butylphenyl)sulfonylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-[(4-tert-butylphenyl)sulfonylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-[(4-tert-butylphenyl)sulfonylamino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H33N3O4S2 MolecularWeight: 515.68792

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)OCC)C

InChI

InChI=1S/C26H33N3O4S2/c1-7-29-17(3)22(24(30)33-8-2)23(27-25(29)34)18-10-9-11-20(16-18)28-35(31,32)21-14-12-19(13-15-21)26(4,5)6/h9-16,23,28H,7-8H2,1-6H3,(H,27,34)