butyl 5-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-2-chloranyl-benzoate

Systemtic Name: butyl 5-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-2-chloranyl-benzoate Openeye Name: butyl 5-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-2-chloro-benzoate CAS Name: 5-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]-2-chlorobenzoic acid butyl ester IUPAC Name: butyl 5-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-2-chlorobenzoate Traditional Name: 5-[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]-2-chloro-benzoic acid butyl ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3O2)Cl

Isomeric SMILES

CCCCOC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3O2)Cl

InChI

InChI=1S/C20H19ClN2O4S/c1-2-3-10-26-19(25)14-11-13(8-9-15(14)21)22-18(24)12-28-20-23-16-6-4-5-7-17(16)27-20/h4-9,11H,2-3,10,12H2,1H3,(H,22,24)