3-[1-(4-ethoxycarbonyl-3-oxidanyl-phenyl)-5-thiophen-2-yl-pyrrol-2-yl]propanoate

Systemtic Name: 3-[1-(4-ethoxycarbonyl-3-oxidanyl-phenyl)-5-thiophen-2-yl-pyrrol-2-yl]propanoate Openeye Name: 3-[1-(4-ethoxycarbonyl-3-hydroxy-phenyl)-5-(2-thienyl)pyrrol-2-yl]propanoate CAS Name: 3-[1-(4-ethoxycarbonyl-3-hydroxyphenyl)-5-thiophen-2-yl-2-pyrrolyl]propanoate IUPAC Name: 3-[1-(4-ethoxycarbonyl-3-hydroxyphenyl)-5-thiophen-2-ylpyrrol-2-yl]propanoate Traditional Name: 3-[1-(4-carbethoxy-3-hydroxy-phenyl)-5-(2-thienyl)pyrrol-2-yl]propionate Formula: C20H18NO5S- MolecularWeight: 384.42562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)N2C(=CC=C2C3=CC=CS3)CCC(=O)[O-])O

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)N2C(=CC=C2C3=CC=CS3)CCC(=O)[O-])O

InChI

InChI=1S/C20H19NO5S/c1-2-26-20(25)15-8-5-14(12-17(15)22)21-13(7-10-19(23)24)6-9-16(21)18-4-3-11-27-18/h3-6,8-9,11-12,22H,2,7,10H2,1H3,(H,23,24)/p-1