methyl 4-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H20N2O4S2/c1-3-26-15-8-9-16-17(10-15)28-20(22-16)27-12-18(23)21-11-13-4-6-14(7-5-13)19(24)25-2/h4-10H,3,11-12H2,1-2H3,(H,21,23)