2-azanyl-3-[3-[(4-methylphenyl)sulfonylamino]-5-phenyl-thiophen-2-yl]-3-oxidanylidene-propanoic acid

Systemtic Name: 2-azanyl-3-[3-[(4-methylphenyl)sulfonylamino]-5-phenyl-thiophen-2-yl]-3-oxidanylidene-propanoic acid Openeye Name: 2-amino-3-oxo-3-[5-phenyl-3-(p-tolylsulfonylamino)-2-thienyl]propanoic acid CAS Name: 2-amino-3-[3-[(4-methylphenyl)sulfonylamino]-5-phenyl-2-thiophenyl]-3-oxopropanoic acid IUPAC Name: 2-amino-3-[3-[(4-methylphenyl)sulfonylamino]-5-phenylthiophen-2-yl]-3-oxopropanoic acid Traditional Name: 2-amino-3-keto-3-[5-phenyl-3-(tosylamino)-2-thienyl]propionic acid Formula: C20H18N2O5S2 MolecularWeight: 430.49732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)C(C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)C(C(=O)O)N

InChI

InChI=1S/C20H18N2O5S2/c1-12-7-9-14(10-8-12)29(26,27)22-15-11-16(13-5-3-2-4-6-13)28-19(15)18(23)17(21)20(24)25/h2-11,17,22H,21H2,1H3,(H,24,25)