4-(3-ethoxy-3-oxidanylidene-propyl)sulfanyl-2-methyl-2-(naphthalen-2-ylcarbonylamino)butanoic acid

Systemtic Name: 4-(3-ethoxy-3-oxidanylidene-propyl)sulfanyl-2-methyl-2-(naphthalen-2-ylcarbonylamino)butanoic acid Openeye Name: 4-(3-ethoxy-3-oxo-propyl)sulfanyl-2-methyl-2-(naphthalene-2-carbonylamino)butanoic acid CAS Name: 4-[(3-ethoxy-3-oxopropyl)thio]-2-methyl-2-[[2-naphthalenyl(oxo)methyl]amino]butanoic acid IUPAC Name: 4-(3-ethoxy-3-oxopropyl)sulfanyl-2-methyl-2-(naphthalene-2-carbonylamino)butanoic acid Traditional Name: 4-[(3-ethoxy-3-keto-propyl)thio]-2-methyl-2-(2-naphthoylamino)butyric acid Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSCCC(C)(C(=O)O)NC(=O)C1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CCOC(=O)CCSCCC(C)(C(=O)O)NC(=O)C1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C21H25NO5S/c1-3-27-18(23)10-12-28-13-11-21(2,20(25)26)22-19(24)17-9-8-15-6-4-5-7-16(15)14-17/h4-9,14H,3,10-13H2,1-2H3,(H,22,24)(H,25,26)