[2-[1-(4-ethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-[1-(4-ethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-[1-(4-ethylphenyl)ethylamino]-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-[1-(4-ethylphenyl)ethylamino]-2-keto-ethyl] ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC1=CC=C(C=C1)C(C)NC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C23H26N2O3S/c1-3-17-11-13-18(14-12-17)16(2)24-21(26)15-28-23(27)10-6-9-22-25-19-7-4-5-8-20(19)29-22/h4-5,7-8,11-14,16H,3,6,9-10,15H2,1-2H3,(H,24,26)