[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H24N2O3S/c1-2-3-6-16-9-11-17(12-10-16)23-20(25)15-27-22(26)14-13-21-24-18-7-4-5-8-19(18)28-21/h4-5,7-12H,2-3,6,13-15H2,1H3,(H,23,25)