(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC3=NOC(=N3)C4=CSC=C4

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC3=NOC(=N3)C4=CSC=C4

InChI

InChI=1S/C18H17N3O4S2/c1-10(22)19-17-15(12-4-2-3-5-13(12)27-17)18(23)24-8-14-20-16(25-21-14)11-6-7-26-9-11/h6-7,9H,2-5,8H2,1H3,(H,19,22)