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

Systemtic Name: ethyl 4-[2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H15ClN2O4S MolecularWeight: 390.8407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2O4S/c1-2-24-17(23)11-3-6-13(7-4-11)20-16(22)10-26-18-21-14-9-12(19)5-8-15(14)25-18/h3-9H,2,10H2,1H3,(H,20,22)