(E)-N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)prop-2-enamide

Systemtic Name: (E)-N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)prop-2-enamide Openeye Name: (E)-N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)prop-2-enamide CAS Name: (E)-N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)acrylamide Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C)Cl)OC

InChI

InChI=1S/C21H20ClN3O4S/c1-4-29-17-10-13(9-15(22)20(17)28-3)5-8-19(27)24-14-6-7-16-18(11-14)30-21(25-16)23-12(2)26/h5-11H,4H2,1-3H3,(H,24,27)(H,23,25,26)/b8-5+