[2-[(2-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-[(2-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(2-carbamoylanilino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-(2-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-carbamoylanilino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-(2-carbamoylanilino)-2-keto-ethyl] ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4S/c21-20(26)13-6-1-2-7-14(13)22-17(24)12-27-19(25)11-5-10-18-23-15-8-3-4-9-16(15)28-18/h1-4,6-9H,5,10-12H2,(H2,21,26)(H,22,24)