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

Systemtic Name: 3-[1-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-5-phenyl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[(3-chlorobenzothiophene-2-carbonyl)amino]-5-phenyl-pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-5-phenyl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5-phenylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[(3-chlorobenzothiophene-2-carbonyl)amino]-5-phenyl-pyrrol-2-yl]propionic acid Formula: C22H17ClN2O3S MolecularWeight: 424.89998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(N2NC(=O)C3=C(C4=CC=CC=C4S3)Cl)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(N2NC(=O)C3=C(C4=CC=CC=C4S3)Cl)CCC(=O)O

InChI

InChI=1S/C22H17ClN2O3S/c23-20-16-8-4-5-9-18(16)29-21(20)22(28)24-25-15(11-13-19(26)27)10-12-17(25)14-6-2-1-3-7-14/h1-10,12H,11,13H2,(H,24,28)(H,26,27)