methyl 3-[6-[(2R)-4-methylpentan-2-yl]imino-3-phenylimino-cyclohexa-1,4-dien-1-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[6-[(2R)-4-methylpentan-2-yl]imino-3-phenylimino-cyclohexa-1,4-dien-1-yl]sulfanylpropanoate Openeye Name: methyl 3-[6-[(1R)-1,3-dimethylbutyl]imino-3-phenylimino-cyclohexa-1,4-dien-1-yl]sulfanylpropanoate CAS Name: 3-[[6-[(2R)-4-methylpentan-2-yl]imino-3-phenylimino-1-cyclohexa-1,4-dienyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[6-[(2R)-4-methylpentan-2-yl]imino-3-phenyliminocyclohexa-1,4-dien-1-yl]sulfanylpropanoate Traditional Name: 3-[[6-[(1R)-1,3-dimethylbutyl]imino-3-phenylimino-cyclohexa-1,4-dien-1-yl]thio]propionic acid methyl ester Formula: C22H28N2O2S MolecularWeight: 384.53492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)N=C1C=CC(=NC2=CC=CC=C2)C=C1SCCC(=O)OC

Isomeric SMILES

C[C@H](CC(C)C)N=C1C=CC(=NC2=CC=CC=C2)C=C1SCCC(=O)OC

InChI

InChI=1S/C22H28N2O2S/c1-16(2)14-17(3)23-20-11-10-19(24-18-8-6-5-7-9-18)15-21(20)27-13-12-22(25)26-4/h5-11,15-17H,12-14H2,1-4H3/t17-/m1/s1