[4-chloranyl-2-(phenylmethyl)phenyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate

Systemtic Name: [4-chloranyl-2-(phenylmethyl)phenyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: (2-benzyl-4-chloro-phenyl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-2-propenoic acid [4-chloro-2-(phenylmethyl)phenyl] ester IUPAC Name: (2-benzyl-4-chlorophenyl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)acrylic acid (2-benzyl-4-chloro-phenyl) ester Formula: C23H16ClNO2S MolecularWeight: 405.89664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)OC(=O)C=CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)OC(=O)/C=C/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H16ClNO2S/c24-18-10-11-20(17(15-18)14-16-6-2-1-3-7-16)27-23(26)13-12-22-25-19-8-4-5-9-21(19)28-22/h1-13,15H,14H2/b13-12+