2-(2-ethoxyphenyl)ethyl 4-(tert-butylsulfonylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-(2-ethoxyphenyl)ethyl 4-(tert-butylsulfonylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(2-ethoxyphenyl)ethyl 4-(tert-butylsulfonylmethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(tert-butylsulfonylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(2-ethoxyphenyl)ethyl ester IUPAC Name: 2-(2-ethoxyphenyl)ethyl 4-(tert-butylsulfonylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(tert-butylsulfonylmethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-o-phenetylethyl ester Formula: C21H30N2O5S2 MolecularWeight: 454.6033

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCOC(=O)C2=C(NC(=S)NC2CS(=O)(=O)C(C)(C)C)C

Isomeric SMILES

CCOC1=CC=CC=C1CCOC(=O)C2=C(NC(=S)NC2CS(=O)(=O)C(C)(C)C)C

InChI

InChI=1S/C21H30N2O5S2/c1-6-27-17-10-8-7-9-15(17)11-12-28-19(24)18-14(2)22-20(29)23-16(18)13-30(25,26)21(3,4)5/h7-10,16H,6,11-13H2,1-5H3,(H2,22,23,29)