(E)-3-(1,3-benzothiazol-2-yl)-4-(6-methoxynaphthalen-2-yl)but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(6-methoxynaphthalen-2-yl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(6-methoxy-2-naphthyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(6-methoxy-2-naphthalenyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(6-methoxynaphthalen-2-yl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(6-methoxy-2-naphthyl)but-3-enoic acid Formula: C22H17NO3S MolecularWeight: 375.44028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C=C(CC(=O)O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)/C=C(\CC(=O)O)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H17NO3S/c1-26-18-9-8-15-10-14(6-7-16(15)12-18)11-17(13-21(24)25)22-23-19-4-2-3-5-20(19)27-22/h2-12H,13H2,1H3,(H,24,25)/b17-11+