2-azanyl-2-(3-chloranylthiophen-2-yl)carbonyl-4-dibenzofuran-2-yl-4-oxidanylidene-butanoic acid

Systemtic Name: 2-azanyl-2-(3-chloranylthiophen-2-yl)carbonyl-4-dibenzofuran-2-yl-4-oxidanylidene-butanoic acid Openeye Name: 2-amino-2-(3-chlorothiophene-2-carbonyl)-4-dibenzofuran-2-yl-4-oxo-butanoic acid CAS Name: 2-amino-2-[(3-chloro-2-thiophenyl)-oxomethyl]-4-(2-dibenzofuranyl)-4-oxobutanoic acid IUPAC Name: 2-amino-2-(3-chlorothiophene-2-carbonyl)-4-dibenzofuran-2-yl-4-oxobutanoic acid Traditional Name: 2-amino-2-(3-chlorothiophene-2-carbonyl)-4-dibenzofuran-2-yl-4-keto-butyric acid Formula: C21H14ClNO5S MolecularWeight: 427.85756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)C(=O)CC(C(=O)C4=C(C=CS4)Cl)(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)C(=O)CC(C(=O)C4=C(C=CS4)Cl)(C(=O)O)N

InChI

InChI=1S/C21H14ClNO5S/c22-14-7-8-29-18(14)19(25)21(23,20(26)27)10-15(24)11-5-6-17-13(9-11)12-3-1-2-4-16(12)28-17/h1-9H,10,23H2,(H,26,27)