[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C1=CC=CC=C1C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)C1=CC=CC=C1C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H23N3O4S/c1-14(2)11-12-23-22(28)25-19(26)13-29-21(27)16-8-4-3-7-15(16)20-24-17-9-5-6-10-18(17)30-20/h3-10,14H,11-13H2,1-2H3,(H2,23,25,26,28)