(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-chloranyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-chloranyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 3-chloro-4-ethoxy-5-methoxy-benzoate CAS Name: 3-chloro-4-ethoxy-5-methoxybenzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-chloro-4-ethoxy-5-methoxybenzoate Traditional Name: 3-chloro-4-ethoxy-5-methoxy-benzoic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C18H16ClNO5S MolecularWeight: 393.84134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)OCC2=NOC(=C2)C3=CC=CS3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)OCC2=NOC(=C2)C3=CC=CS3)OC

InChI

InChI=1S/C18H16ClNO5S/c1-3-23-17-13(19)7-11(8-15(17)22-2)18(21)24-10-12-9-14(25-20-12)16-5-4-6-26-16/h4-9H,3,10H2,1-2H3