[1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1,3-benzothiazole-6-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2-sec-butylanilino)ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-keto-1-methyl-2-(2-sec-butylanilino)ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C21H22N2O3S/c1-4-13(2)16-7-5-6-8-17(16)23-20(24)14(3)26-21(25)15-9-10-18-19(11-15)27-12-22-18/h5-14H,4H2,1-3H3,(H,23,24)