1,3-benzothiazol-2-ylmethyl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl (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 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (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 1,3-benzothiazol-2-ylmethyl ester Formula: C18H17NO2S2 MolecularWeight: 343.46308

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H17NO2S2/c1-11-6-7-14-12(8-11)9-16(22-14)18(20)21-10-17-19-13-4-2-3-5-15(13)23-17/h2-5,9,11H,6-8,10H2,1H3/t11-/m0/s1