[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C23H25N3O6S2 MolecularWeight: 503.5911

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H25N3O6S2/c1-31-19-11-10-16(34(29,30)26-12-6-2-3-7-13-26)14-17(19)22(28)32-15-21(27)25-23-24-18-8-4-5-9-20(18)33-23/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,24,25,27)