1,3-benzothiazol-2-ylmethyl (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-propenoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)acrylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H12ClNO4S MolecularWeight: 373.81018

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C=CC(=O)OCC3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)/C=C/C(=O)OCC3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C18H12ClNO4S/c19-12-7-11(8-14-18(12)24-10-23-14)5-6-17(21)22-9-16-20-13-3-1-2-4-15(13)25-16/h1-8H,9-10H2/b6-5+