3-(naphthalen-1-ylsulfanylmethyl)-5-(propan-2-ylcarbamoyl)-1,2-oxazole-4-carboxylic acid

Systemtic Name: 3-(naphthalen-1-ylsulfanylmethyl)-5-(propan-2-ylcarbamoyl)-1,2-oxazole-4-carboxylic acid Openeye Name: 5-(isopropylcarbamoyl)-3-(1-naphthylsulfanylmethyl)isoxazole-4-carboxylic acid CAS Name: 3-[(1-naphthalenylthio)methyl]-5-[oxo-(propan-2-ylamino)methyl]-4-isoxazolecarboxylic acid IUPAC Name: 3-(naphthalen-1-ylsulfanylmethyl)-5-(propan-2-ylcarbamoyl)-1,2-oxazole-4-carboxylic acid Traditional Name: 5-(isopropylcarbamoyl)-3-[(1-naphthylthio)methyl]isoxazole-4-carboxylic acid Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=C(C(=NO1)CSC2=CC=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC(C)NC(=O)C1=C(C(=NO1)CSC2=CC=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C19H18N2O4S/c1-11(2)20-18(22)17-16(19(23)24)14(21-25-17)10-26-15-9-5-7-12-6-3-4-8-13(12)15/h3-9,11H,10H2,1-2H3,(H,20,22)(H,23,24)