ethyl (3S,4R)-2-methylidene-4-(4-methylsulfanylphenyl)-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: ethyl (3S,4R)-2-methylidene-4-(4-methylsulfanylphenyl)-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl (3S,4R)-2-methylene-4-(4-methylsulfanylphenyl)-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: (3S,4R)-2-methylene-4-[4-(methylthio)phenyl]-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3S,4R)-2-methylidene-4-(4-methylsulfanylphenyl)-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: (3S,4R)-2-methylene-4-[4-(methylthio)phenyl]-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N2C3=CC=CC=C3N=C2NC1=C)C4=CC=C(C=C4)SC

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](N2C3=CC=CC=C3N=C2NC1=C)C4=CC=C(C=C4)SC

InChI

InChI=1S/C21H21N3O2S/c1-4-26-20(25)18-13(2)22-21-23-16-7-5-6-8-17(16)24(21)19(18)14-9-11-15(27-3)12-10-14/h5-12,18-19H,2,4H2,1,3H3,(H,22,23)/t18-,19+/m1/s1