1,3-benzothiazol-2-ylmethyl (E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-propenoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)acrylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H20ClNO4S MolecularWeight: 417.9058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C=CC(=O)OCC2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)/C=C/C(=O)OCC2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C21H20ClNO4S/c1-13(2)27-21-15(22)10-14(11-17(21)25-3)8-9-20(24)26-12-19-23-16-6-4-5-7-18(16)28-19/h4-11,13H,12H2,1-3H3/b9-8+