[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-2-propenoic acid [2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)acrylic acid [2-keto-2-(4-pyrrolidinoanilino)ethyl] ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)COC(=O)C=CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)COC(=O)/C=C/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H21N3O3S/c26-20(23-16-7-9-17(10-8-16)25-13-3-4-14-25)15-28-22(27)12-11-21-24-18-5-1-2-6-19(18)29-21/h1-2,5-12H,3-4,13-15H2,(H,23,26)/b12-11+