3-[1-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[(3-chlorobenzothiophene-2-carbonyl)amino]-5-(2-thienyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-5-thiophen-2-yl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5-thiophen-2-ylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[(3-chlorobenzothiophene-2-carbonyl)amino]-5-(2-thienyl)pyrrol-2-yl]propionic acid Formula: C20H15ClN2O3S2 MolecularWeight: 430.9277

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NN3C(=CC=C3C4=CC=CS4)CCC(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NN3C(=CC=C3C4=CC=CS4)CCC(=O)O)Cl

InChI

InChI=1S/C20H15ClN2O3S2/c21-18-13-4-1-2-5-15(13)28-19(18)20(26)22-23-12(8-10-17(24)25)7-9-14(23)16-6-3-11-27-16/h1-7,9,11H,8,10H2,(H,22,26)(H,24,25)