[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]hexanoate

Systemtic Name: [2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]hexanoate Openeye Name: [2-(3,4-dichloroanilino)-2-oxo-ethyl] 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanoate CAS Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanoic acid [2-(3,4-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dichloroanilino)-2-oxoethyl] 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanoate Traditional Name: 6-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]hexanoic acid [2-(3,4-dichloroanilino)-2-keto-ethyl] ester Formula: C21H21Cl2N3O5S MolecularWeight: 498.37954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCCCC(=O)OCC(=O)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCCCC(=O)OCC(=O)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H21Cl2N3O5S/c22-16-10-9-14(12-17(16)23)25-19(27)13-31-20(28)8-2-1-5-11-24-21-15-6-3-4-7-18(15)32(29,30)26-21/h3-4,6-7,9-10,12H,1-2,5,8,11,13H2,(H,24,26)(H,25,27)