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

Systemtic Name: methyl 2-[2-[[4-(6-ethoxy-1,3-benzothiazol-2-yl)phenyl]amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-(6-ethoxy-1,3-benzothiazol-2-yl)anilino]acetyl]amino]benzoate CAS Name: 2-[[2-[4-(6-ethoxy-1,3-benzothiazol-2-yl)anilino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(6-ethoxy-1,3-benzothiazol-2-yl)anilino]acetyl]amino]benzoate Traditional Name: 2-[[2-[4-(6-ethoxy-1,3-benzothiazol-2-yl)anilino]acetyl]amino]benzoic acid methyl ester Formula: C25H23N3O4S MolecularWeight: 461.53282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NCC(=O)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NCC(=O)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C25H23N3O4S/c1-3-32-18-12-13-21-22(14-18)33-24(28-21)16-8-10-17(11-9-16)26-15-23(29)27-20-7-5-4-6-19(20)25(30)31-2/h4-14,26H,3,15H2,1-2H3,(H,27,29)