(2S,3S)-N-(1,3-benzothiazol-2-ylmethyl)-N,2,3-trimethyl-2,3-dihydro-1-benzofuran-7-carboxamide

Systemtic Name: (2S,3S)-N-(1,3-benzothiazol-2-ylmethyl)-N,2,3-trimethyl-2,3-dihydro-1-benzofuran-7-carboxamide Openeye Name: (2S,3S)-N-(1,3-benzothiazol-2-ylmethyl)-N,2,3-trimethyl-2,3-dihydrobenzofuran-7-carboxamide CAS Name: (2S,3S)-N-(1,3-benzothiazol-2-ylmethyl)-N,2,3-trimethyl-2,3-dihydrobenzofuran-7-carboxamide IUPAC Name: (2S,3S)-N-(1,3-benzothiazol-2-ylmethyl)-N,2,3-trimethyl-2,3-dihydro-1-benzofuran-7-carboxamide Traditional Name: (2S,3S)-N-(1,3-benzothiazol-2-ylmethyl)-N,2,3-trimethyl-coumaran-7-carboxamide Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=C(C=CC=C12)C(=O)N(C)CC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

C[C@@H]1[C@@H](OC2=C(C=CC=C12)C(=O)N(C)CC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C20H20N2O2S/c1-12-13(2)24-19-14(12)7-6-8-15(19)20(23)22(3)11-18-21-16-9-4-5-10-17(16)25-18/h4-10,12-13H,11H2,1-3H3/t12-,13+/m1/s1