[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-ethyl] 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-2-oxoethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid [2-keto-2-(4-methoxyphenyl)ethyl] ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H22N2O4S/c1-12(2)8-9-19-18-20-15(11-25-18)17(22)24-10-16(21)13-4-6-14(23-3)7-5-13/h4-7,11-12H,8-10H2,1-3H3,(H,19,20)