methyl 4-[2-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[2-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[2-[(2-phenyl-2-phenylsulfanyl-acetyl)amino]thiazol-4-yl]-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[[1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]-4-thiazolyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-[(2-phenyl-2-phenylsulfanylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[[2-phenyl-2-(phenylthio)acetyl]amino]thiazol-4-yl]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C23H19N3O3S2 MolecularWeight: 449.54526

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN1)C2=CSC(=N2)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CN1)C2=CSC(=N2)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C23H19N3O3S2/c1-29-22(28)18-12-16(13-24-18)19-14-30-23(25-19)26-21(27)20(15-8-4-2-5-9-15)31-17-10-6-3-7-11-17/h2-14,20,24H,1H3,(H,25,26,27)