(E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(3-chloranyl-5-methoxy-4-propoxy-phenyl)prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(3-chloranyl-5-methoxy-4-propoxy-phenyl)prop-2-enamide Openeye Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(3-chloro-5-methoxy-4-propoxy-phenyl)prop-2-enamide CAS Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(3-chloro-5-methoxy-4-propoxyphenyl)-2-propenamide IUPAC Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enamide Traditional Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(3-chloro-5-methoxy-4-propoxy-phenyl)acrylamide Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C=CC(=O)NCC2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)/C=C/C(=O)NCC2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C21H21ClN2O3S/c1-3-10-27-21-15(22)11-14(12-17(21)26-2)8-9-19(25)23-13-20-24-16-6-4-5-7-18(16)28-20/h4-9,11-12H,3,10,13H2,1-2H3,(H,23,25)/b9-8+