3-[1-(carbamothioylamino)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-(carbamothioylamino)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-(carbamothioylamino)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-(carbamothioylamino)-5-(4-methoxyphenyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(carbamothioylamino)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[5-(4-methoxyphenyl)-1-thioureido-pyrrol-2-yl]propionic acid Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(N2NC(=S)N)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(N2NC(=S)N)CCC(=O)O

InChI

InChI=1S/C15H17N3O3S/c1-21-12-6-2-10(3-7-12)13-8-4-11(5-9-14(19)20)18(13)17-15(16)22/h2-4,6-8H,5,9H2,1H3,(H,19,20)(H3,16,17,22)