[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 4-propan-2-ylbenzoate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 4-propan-2-ylbenzoate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC3=NSN=C32

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC3=NSN=C32

InChI

InChI=1S/C18H17N3O3S/c1-11(2)12-6-8-13(9-7-12)18(23)24-10-16(22)19-14-4-3-5-15-17(14)21-25-20-15/h3-9,11H,10H2,1-2H3,(H,19,22)