(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C19H16N2O3S2 MolecularWeight: 384.47194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)OCC3=NOC(=C3)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)OCC3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C19H16N2O3S2/c22-19(9-3-8-18-20-14-5-1-2-6-16(14)26-18)23-12-13-11-15(24-21-13)17-7-4-10-25-17/h1-2,4-7,10-11H,3,8-9,12H2