1,3-benzothiazol-2-ylmethyl (E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-methoxy-4-propoxyphenyl)-2-propenoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-methoxy-4-propoxy-phenyl)acrylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)OCC2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)OCC2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C21H21NO4S/c1-3-12-25-17-10-8-15(13-18(17)24-2)9-11-21(23)26-14-20-22-16-6-4-5-7-19(16)27-20/h4-11,13H,3,12,14H2,1-2H3/b11-9+