3-[1-(carbamothioylamino)-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-(carbamothioylamino)-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-(carbamothioylamino)-5-(2-thienyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-(carbamothioylamino)-5-thiophen-2-yl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(carbamothioylamino)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid Traditional Name: 3-[5-(2-thienyl)-1-thioureido-pyrrol-2-yl]propionic acid Formula: C12H13N3O2S2 MolecularWeight: 295.38052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC=C(N2NC(=S)N)CCC(=O)O

Isomeric SMILES

C1=CSC(=C1)C2=CC=C(N2NC(=S)N)CCC(=O)O

InChI

InChI=1S/C12H13N3O2S2/c13-12(18)14-15-8(4-6-11(16)17)3-5-9(15)10-2-1-7-19-10/h1-3,5,7H,4,6H2,(H,16,17)(H3,13,14,18)