propan-2-yl 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: propan-2-yl 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C20H18N4O3S2 MolecularWeight: 426.51192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)OC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H18N4O3S2/c1-11(2)27-18(26)12-7-8-15-16(9-12)29-20(23-15)24-17(25)10-28-19-21-13-5-3-4-6-14(13)22-19/h3-9,11H,10H2,1-2H3,(H,21,22)(H,23,24,25)