[2-[(4-methoxyphenyl)carbonylamino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-[(4-methoxyphenyl)carbonylamino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-[(4-methoxybenzoyl)amino]-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-[[(4-methoxyphenyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-keto-2-(p-anisoylamino)ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H20N2O5S/c1-27-15-11-9-14(10-12-15)21(26)23-18(24)13-28-20(25)8-4-7-19-22-16-5-2-3-6-17(16)29-19/h2-3,5-6,9-12H,4,7-8,13H2,1H3,(H,23,24,26)