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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-propenoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)acrylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H18ClNO4S MolecularWeight: 403.87922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)OCC2=NC3=CC=CC=C3S2)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)OCC2=NC3=CC=CC=C3S2)Cl)OC

InChI

InChI=1S/C20H18ClNO4S/c1-3-25-16-11-13(10-14(21)20(16)24-2)8-9-19(23)26-12-18-22-15-6-4-5-7-17(15)27-18/h4-11H,3,12H2,1-2H3/b9-8+