[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-methyl-4-phenyl-thiazole-5-carboxylate CAS Name: 2-methyl-4-phenyl-5-thiazolecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-methyl-4-phenyl-thiazole-5-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)C(=O)OCC(=O)N2CCCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C(S1)C(=O)OCC(=O)N2CCCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C19H22N2O3S/c1-14-20-17(15-9-5-4-6-10-15)18(25-14)19(23)24-13-16(22)21-11-7-2-3-8-12-21/h4-6,9-10H,2-3,7-8,11-13H2,1H3