[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate

Systemtic Name: [5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate Openeye Name: [5-(4,5,6,7-tetrahydrobenzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate CAS Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoic acid [5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate Traditional Name: 3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)propionic acid [5-(4,5,6,7-tetrahydrobenzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C21H18ClN3O5S MolecularWeight: 459.90272

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C3=NN=C(O3)COC(=O)CCN4C5=C(C=C(C=C5)Cl)OC4=O

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C3=NN=C(O3)COC(=O)CCN4C5=C(C=C(C=C5)Cl)OC4=O

InChI

InChI=1S/C21H18ClN3O5S/c22-13-5-6-14-15(10-13)29-21(27)25(14)8-7-19(26)28-11-18-23-24-20(30-18)17-9-12-3-1-2-4-16(12)31-17/h5-6,9-10H,1-4,7-8,11H2