3-(1,3-benzothiazol-2-yl)-4-(7-chloranyl-1,3-benzodioxol-5-yl)but-3-enoic acid

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-4-(7-chloranyl-1,3-benzodioxol-5-yl)but-3-enoic acid Openeye Name: 3-(1,3-benzothiazol-2-yl)-4-(7-chloro-1,3-benzodioxol-5-yl)but-3-enoic acid CAS Name: 3-(1,3-benzothiazol-2-yl)-4-(7-chloro-1,3-benzodioxol-5-yl)-3-butenoic acid IUPAC Name: 3-(1,3-benzothiazol-2-yl)-4-(7-chloro-1,3-benzodioxol-5-yl)but-3-enoic acid Traditional Name: 3-(1,3-benzothiazol-2-yl)-4-(7-chloro-1,3-benzodioxol-5-yl)but-3-enoic acid Formula: C18H12ClNO4S MolecularWeight: 373.81018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C=C(CC(=O)O)C3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C=C(CC(=O)O)C3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C18H12ClNO4S/c19-12-6-10(7-14-17(12)24-9-23-14)5-11(8-16(21)22)18-20-13-3-1-2-4-15(13)25-18/h1-7H,8-9H2,(H,21,22)