methyl 5-(1,3-benzothiazol-2-ylsulfanylmethyl)thiophene-2-carboxylate

Systemtic Name: methyl 5-(1,3-benzothiazol-2-ylsulfanylmethyl)thiophene-2-carboxylate Openeye Name: methyl 5-(1,3-benzothiazol-2-ylsulfanylmethyl)thiophene-2-carboxylate CAS Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzothiazol-2-ylsulfanylmethyl)thiophene-2-carboxylate Traditional Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]thiophene-2-carboxylic acid methyl ester Formula: C14H11NO2S3 MolecularWeight: 321.43764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=CC=C(S1)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H11NO2S3/c1-17-13(16)12-7-6-9(19-12)8-18-14-15-10-4-2-3-5-11(10)20-14/h2-7H,8H2,1H3