ethyl 4-[2-[(2-cyanophenyl)methoxy]phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-[(2-cyanophenyl)methoxy]phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-[(2-cyanophenyl)methoxy]phenyl]-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[2-[(2-cyanophenyl)methoxy]phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2-cyanophenyl)methoxy]phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[2-(2-cyanobenzyl)oxyphenyl]-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H23N3O3S MolecularWeight: 469.55482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2OCC3=CC=CC=C3C#N)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2OCC3=CC=CC=C3C#N)C4=CC=CC=C4

InChI

InChI=1S/C27H23N3O3S/c1-2-32-26(31)23-24(18-10-4-3-5-11-18)29-27(34)30-25(23)21-14-8-9-15-22(21)33-17-20-13-7-6-12-19(20)16-28/h3-15,25H,2,17H2,1H3,(H2,29,30,34)