[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[[4-(4-ethylphenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-[[4-(4-ethylphenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-[[4-(4-ethylphenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC(=CN3)C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC(=CN3)C(=O)C

InChI

InChI=1S/C20H19N3O4S/c1-3-13-4-6-14(7-5-13)17-11-28-20(22-17)23-18(25)10-27-19(26)16-8-15(9-21-16)12(2)24/h4-9,11,21H,3,10H2,1-2H3,(H,22,23,25)