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

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C18H23N3O3S2/c1-12(2)8-9-19-18-21-14(11-26-18)17(23)24-10-16(22)20-13-6-4-5-7-15(13)25-3/h4-7,11-12H,8-10H2,1-3H3,(H,19,21)(H,20,22)