(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C17H12ClNO5S MolecularWeight: 377.79888

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)C(=O)OCC3=NOC(=C3)C4=CC=CS4

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)C(=O)OCC3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C17H12ClNO5S/c18-12-6-10(7-14-16(12)22-4-3-21-14)17(20)23-9-11-8-13(24-19-11)15-2-1-5-25-15/h1-2,5-8H,3-4,9H2