[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 2-[(S)-ethylsulfinyl]benzoate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 2-[(S)-ethylsulfinyl]benzoate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 2-[(S)-ethylsulfinyl]benzoate CAS Name: 2-[(S)-ethylsulfinyl]benzoic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate Traditional Name: 2-[(S)-ethylsulfinyl]benzoic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=CC=CC=C1C(=O)OCC(=O)NC2=CC=CC3=NSN=C32

Isomeric SMILES

CC[S@](=O)C1=CC=CC=C1C(=O)OCC(=O)NC2=CC=CC3=NSN=C32

InChI

InChI=1S/C17H15N3O4S2/c1-2-26(23)14-9-4-3-6-11(14)17(22)24-10-15(21)18-12-7-5-8-13-16(12)20-25-19-13/h3-9H,2,10H2,1H3,(H,18,21)/t26-/m0/s1