[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-(2-phenyl-1,3-thiazol-4-yl)ethanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-(2-phenyl-1,3-thiazol-4-yl)ethanoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-(2-phenylthiazol-4-yl)acetate CAS Name: 2-(2-phenyl-4-thiazolyl)acetic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate Traditional Name: 2-(2-phenylthiazol-4-yl)acetic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C21H19NO3S3 MolecularWeight: 429.57546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)CC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)CC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H19NO3S3/c1-24-18-11-15(21-26-9-10-27-21)7-8-17(18)25-19(23)12-16-13-28-20(22-16)14-5-3-2-4-6-14/h2-8,11,13,21H,9-10,12H2,1H3