(E)-4-(1,3-benzothiazol-2-yl)-5-(7-methoxy-1-benzofuran-2-yl)pent-4-enoic acid

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(7-methoxy-1-benzofuran-2-yl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(7-methoxybenzofuran-2-yl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(7-methoxy-2-benzofuranyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(7-methoxy-1-benzofuran-2-yl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(7-methoxybenzofuran-2-yl)pent-4-enoic acid Formula: C21H17NO4S MolecularWeight: 379.42898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C=C(CCC(=O)O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)/C=C(\CCC(=O)O)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H17NO4S/c1-25-17-7-4-5-13-11-15(26-20(13)17)12-14(9-10-19(23)24)21-22-16-6-2-3-8-18(16)27-21/h2-8,11-12H,9-10H2,1H3,(H,23,24)/b14-12+