1,3-benzothiazol-2-ylmethyl 3-(4-methylphenyl)thiophene-2-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(p-tolyl)thiophene-2-carboxylate CAS Name: 3-(4-methylphenyl)-2-thiophenecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(4-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-(p-tolyl)thiophene-2-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H15NO2S2 MolecularWeight: 365.4686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H15NO2S2/c1-13-6-8-14(9-7-13)15-10-11-24-19(15)20(22)23-12-18-21-16-4-2-3-5-17(16)25-18/h2-11H,12H2,1H3