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

Systemtic Name: ethyl 3,4-dimethyl-6-[3-(phenylsulfonylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-(benzenesulfonamido)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-(benzenesulfonamido)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(benzenesulfonamido)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(benzenesulfonamido)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S2/c1-4-28-20(25)18-14(2)24(3)21(29)22-19(18)15-9-8-10-16(13-15)23-30(26,27)17-11-6-5-7-12-17/h5-13,19,23H,4H2,1-3H3,(H,22,29)