ethyl 6-tert-butyl-4-phenethyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-tert-butyl-4-phenethyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-tert-butyl-4-phenethyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-tert-butyl-4-phenethyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-4-phenethyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-tert-butyl-4-phenethyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H26N2O2S MolecularWeight: 346.48694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1CCC2=CC=CC=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1CCC2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C19H26N2O2S/c1-5-23-17(22)15-14(12-11-13-9-7-6-8-10-13)20-18(24)21-16(15)19(2,3)4/h6-10,14H,5,11-12H2,1-4H3,(H2,20,21,24)