2-[3-ethoxycarbonyl-2-ethyl-5-phenylmethoxycarbonyl-4-(2-thiophen-2-ylethyl)pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[3-ethoxycarbonyl-2-ethyl-5-phenylmethoxycarbonyl-4-(2-thiophen-2-ylethyl)pyrrol-2-yl]ethanoic acid Openeye Name: 2-[5-benzyloxycarbonyl-3-ethoxycarbonyl-2-ethyl-4-[2-(2-thienyl)ethyl]pyrrol-2-yl]acetic acid CAS Name: 2-[3-ethoxycarbonyl-2-ethyl-5-phenylmethoxycarbonyl-4-(2-thiophen-2-ylethyl)-2-pyrrolyl]acetic acid IUPAC Name: 2-[3-ethoxycarbonyl-2-ethyl-5-phenylmethoxycarbonyl-4-(2-thiophen-2-ylethyl)pyrrol-2-yl]acetic acid Traditional Name: 2-[3-carbethoxy-5-carbobenzoxy-2-ethyl-4-[2-(2-thienyl)ethyl]pyrrol-2-yl]acetic acid Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=C(C(=N1)C(=O)OCC2=CC=CC=C2)CCC3=CC=CS3)C(=O)OCC)CC(=O)O

Isomeric SMILES

CCC1(C(=C(C(=N1)C(=O)OCC2=CC=CC=C2)CCC3=CC=CS3)C(=O)OCC)CC(=O)O

InChI

InChI=1S/C25H27NO6S/c1-3-25(15-20(27)28)21(23(29)31-4-2)19(13-12-18-11-8-14-33-18)22(26-25)24(30)32-16-17-9-6-5-7-10-17/h5-11,14H,3-4,12-13,15-16H2,1-2H3,(H,27,28)