[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] cyclopentanecarboxylate

Systemtic Name: [2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] cyclopentanecarboxylate Openeye Name: [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [2-keto-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]ethyl] ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC(=O)C4CCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC(=O)C4CCCC4

InChI

InChI=1S/C22H22N2O3S/c1-14-6-11-18-19(12-14)28-21(24-18)15-7-9-17(10-8-15)23-20(25)13-27-22(26)16-4-2-3-5-16/h6-12,16H,2-5,13H2,1H3,(H,23,25)