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

Systemtic Name: ethyl 6-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H31N3O4S2 MolecularWeight: 501.66134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C)C

InChI

InChI=1S/C25H31N3O4S2/c1-7-32-23(29)21-16(2)28(6)24(33)26-22(21)17-8-12-19(13-9-17)27-34(30,31)20-14-10-18(11-15-20)25(3,4)5/h8-15,22,27H,7H2,1-6H3,(H,26,33)