ethyl (4S)-4-[2-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-[2-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-[2-(2-anilino-2-oxo-ethoxy)phenyl]-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-[2-(2-anilino-2-oxoethoxy)phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-[2-(2-anilino-2-oxoethoxy)phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-[2-(2-anilino-2-keto-ethoxy)phenyl]-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2OCC(=O)NC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N[C@H]1C2=CC=CC=C2OCC(=O)NC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O4S/c1-2-33-26(32)23-24(18-11-5-3-6-12-18)29-27(35)30-25(23)20-15-9-10-16-21(20)34-17-22(31)28-19-13-7-4-8-14-19/h3-16,25H,2,17H2,1H3,(H,28,31)(H2,29,30,35)/t25-/m0/s1