butyl 4-[2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(5-chloro-1,3-benzoxazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-chloro-1,3-benzoxazol-2-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(O2)C=CC(=C3)Cl

InChI

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