[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)OCC(=O)NC3=CC=CC4=NSN=C43

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)OCC(=O)NC3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H18N4O3S/c25-18(22-16-8-4-9-17-20(16)24-28-23-17)12-27-19(26)10-3-5-13-11-21-15-7-2-1-6-14(13)15/h1-2,4,6-9,11,21H,3,5,10,12H2,(H,22,25)