[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentanecarboxylic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclopentanecarboxylic acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CC2=NC3=CC=CC=C3S2)C(=O)OCCC(=O)NC4=CC=CC=C4C#N

Isomeric SMILES

C1CCC(C1)(CC2=NC3=CC=CC=C3S2)C(=O)OCCC(=O)NC4=CC=CC=C4C#N

InChI

InChI=1S/C24H23N3O3S/c25-16-17-7-1-2-8-18(17)26-21(28)11-14-30-23(29)24(12-5-6-13-24)15-22-27-19-9-3-4-10-20(19)31-22/h1-4,7-10H,5-6,11-15H2,(H,26,28)