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

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C16H13ClN2O4S MolecularWeight: 364.80342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC2=NOC(=C2)C3=CC=CS3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC2=NOC(=C2)C3=CC=CS3)Cl)N

InChI

InChI=1S/C16H13ClN2O4S/c1-21-13-7-12(18)11(17)6-10(13)16(20)22-8-9-5-14(23-19-9)15-3-2-4-24-15/h2-7H,8,18H2,1H3