1,3-benzothiazol-2-ylmethyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate CAS Name: (E)-3-[1-(2-cyanoethyl)-3-indolyl]-2-propenoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate Traditional Name: (E)-3-[1-(2-cyanoethyl)indol-3-yl]acrylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H17N3O2S MolecularWeight: 387.45428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCC#N)C=CC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCC#N)/C=C/C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H17N3O2S/c23-12-5-13-25-14-16(17-6-1-3-8-19(17)25)10-11-22(26)27-15-21-24-18-7-2-4-9-20(18)28-21/h1-4,6-11,14H,5,13,15H2/b11-10+