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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1)C=C(CC(=O)O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1)/C=C(\CC(=O)O)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H17NO3S/c1-26-19-11-10-14-6-2-3-7-16(14)17(19)12-15(13-21(24)25)22-23-18-8-4-5-9-20(18)27-22/h2-12H,13H2,1H3,(H,24,25)/b15-12+