[(2S)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 1-methylpyrrole-2-carboxylate

Systemtic Name: [(2S)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 1-methylpyrrole-2-carboxylate Openeye Name: [(1S)-2-[[4-(4-ethylphenyl)thiazol-2-yl]amino]-1-methyl-2-oxo-ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [(2S)-1-[[4-(4-ethylphenyl)-2-thiazolyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [(1S)-2-[[4-(4-ethylphenyl)thiazol-2-yl]amino]-2-keto-1-methyl-ethyl] ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(C)OC(=O)C3=CC=CN3C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@H](C)OC(=O)C3=CC=CN3C

InChI

InChI=1S/C20H21N3O3S/c1-4-14-7-9-15(10-8-14)16-12-27-20(21-16)22-18(24)13(2)26-19(25)17-6-5-11-23(17)3/h5-13H,4H2,1-3H3,(H,21,22,24)/t13-/m0/s1