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

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)OCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C17H16N2O3S2/c1-10-2-3-13-12(6-10)7-14(24-13)17(20)21-8-15-18-16(19-22-15)11-4-5-23-9-11/h4-5,7,9-10H,2-3,6,8H2,1H3/t10-/m0/s1