(E)-3-(1,3-benzothiazol-2-yl)-4-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-chloro-5-ethoxy-4-methoxy-phenyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-chloro-5-ethoxy-4-methoxyphenyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-chloro-5-ethoxy-4-methoxyphenyl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-chloro-5-ethoxy-4-methoxy-phenyl)but-3-enoic acid Formula: C20H18ClNO4S MolecularWeight: 403.87922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(CC(=O)O)C2=NC3=CC=CC=C3S2)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3S2)Cl)OC

InChI

InChI=1S/C20H18ClNO4S/c1-3-26-16-10-12(9-14(21)19(16)25-2)8-13(11-18(23)24)20-22-15-6-4-5-7-17(15)27-20/h4-10H,3,11H2,1-2H3,(H,23,24)/b13-8+