[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 2-benzamido-4-methyl-pentanoate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 2-benzamido-4-methyl-pentanoate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 2-benzamido-4-methyl-pentanoate CAS Name: 2-benzamido-4-methylpentanoic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-benzamido-4-methylpentanoate Traditional Name: 2-benzamido-4-methyl-valeric acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC(=O)NC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)OCC(=O)NC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=CC=C3

InChI

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