methyl 3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(6-ethoxy-1,3-benzothiazol-2-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(6-ethoxy-1,3-benzothiazol-2-yl)thio]methyl]benzoic acid methyl ester Formula: C18H17NO3S2 MolecularWeight: 359.46248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C18H17NO3S2/c1-3-22-14-7-8-15-16(10-14)24-18(19-15)23-11-12-5-4-6-13(9-12)17(20)21-2/h4-10H,3,11H2,1-2H3