ethyl 2-[[8-oxidanylidene-8-(phenylmethoxyamino)octanoyl]amino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[[8-oxidanylidene-8-(phenylmethoxyamino)octanoyl]amino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[8-(benzyloxyamino)-8-oxo-octanoyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1,8-dioxo-8-(phenylmethoxyamino)octyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[8-oxo-8-(phenylmethoxyamino)octanoyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[8-(benzoxyamino)-8-keto-octanoyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCCCCC(=O)NOCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCCCCC(=O)NOCC3=CC=CC=C3

InChI

InChI=1S/C25H29N3O5S/c1-2-32-24(31)19-14-15-20-21(16-19)34-25(26-20)27-22(29)12-8-3-4-9-13-23(30)28-33-17-18-10-6-5-7-11-18/h5-7,10-11,14-16H,2-4,8-9,12-13,17H2,1H3,(H,28,30)(H,26,27,29)