3-[3-[(2,5-dimethylphenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl]sulfanylpropanoic acid

Systemtic Name: 3-[3-[(2,5-dimethylphenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl]sulfanylpropanoic acid Openeye Name: 3-[[3-[(2,5-dimethylphenyl)carbamoyl]-4-hydroxy-1-naphthyl]sulfanyl]propanoic acid CAS Name: 3-[[3-[(2,5-dimethylanilino)-oxomethyl]-4-hydroxy-1-naphthalenyl]thio]propanoic acid IUPAC Name: 3-[3-[(2,5-dimethylphenyl)carbamoyl]-4-hydroxynaphthalen-1-yl]sulfanylpropanoic acid Traditional Name: 3-[[3-[(2,5-dimethylphenyl)carbamoyl]-4-hydroxy-1-naphthyl]thio]propionic acid Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C2=C(C3=CC=CC=C3C(=C2)SCCC(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C2=C(C3=CC=CC=C3C(=C2)SCCC(=O)O)O

InChI

InChI=1S/C22H21NO4S/c1-13-7-8-14(2)18(11-13)23-22(27)17-12-19(28-10-9-20(24)25)15-5-3-4-6-16(15)21(17)26/h3-8,11-12,26H,9-10H2,1-2H3,(H,23,27)(H,24,25)