(E)-3-(1,3-benzothiazol-2-yl)-4-[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]but-3-enoate

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[(2S)-5-methoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[(2S)-5-methoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[(2S)-5-methoxy-2-methyl-coumaran-6-yl]but-3-enoate Formula: C21H18NO4S- MolecularWeight: 380.43692

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=C(C(=C2)OC)C=C(CC(=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H]1CC2=C(O1)C=C(C(=C2)OC)/C=C(\CC(=O)[O-])/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19NO4S/c1-12-7-13-9-17(25-2)14(10-18(13)26-12)8-15(11-20(23)24)21-22-16-5-3-4-6-19(16)27-21/h3-6,8-10,12H,7,11H2,1-2H3,(H,23,24)/p-1/b15-8+/t12-/m0/s1