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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=CSC(=N1)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=CSC(=N1)C2=CC=C(C=C2)OC

InChI

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