ethyl 1-[3-(2-ethoxycarbonylphenyl)sulfanyl-2-oxidanyl-propyl]-4-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[3-(2-ethoxycarbonylphenyl)sulfanyl-2-oxidanyl-propyl]-4-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[3-(2-ethoxycarbonylphenyl)sulfanyl-2-hydroxy-propyl]-4-phenyl-pyrrole-3-carboxylate CAS Name: 1-[3-[(2-ethoxycarbonylphenyl)thio]-2-hydroxypropyl]-4-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(2-ethoxycarbonylphenyl)sulfanyl-2-hydroxypropyl]-4-phenylpyrrole-3-carboxylate Traditional Name: 1-[3-[(2-carbethoxyphenyl)thio]-2-hydroxy-propyl]-4-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1SCC(CN2C=C(C(=C2)C(=O)OCC)C3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1SCC(CN2C=C(C(=C2)C(=O)OCC)C3=CC=CC=C3)O

InChI

InChI=1S/C25H27NO5S/c1-3-30-24(28)20-12-8-9-13-23(20)32-17-19(27)14-26-15-21(18-10-6-5-7-11-18)22(16-26)25(29)31-4-2/h5-13,15-16,19,27H,3-4,14,17H2,1-2H3