4-methyl-2-[2-oxidanylidene-2-[(2-oxidanylnaphthalen-1-yl)methylamino]ethyl]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-methyl-2-[2-oxidanylidene-2-[(2-oxidanylnaphthalen-1-yl)methylamino]ethyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[2-[(2-hydroxy-1-naphthyl)methylamino]-2-oxo-ethyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[2-[(2-hydroxy-1-naphthalenyl)methylamino]-2-oxoethyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[2-[(2-hydroxynaphthalen-1-yl)methylamino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[2-[(2-hydroxy-1-naphthyl)methylamino]-2-keto-ethyl]-4-methyl-thiazole-5-carboxylic acid Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CC(=O)NCC2=C(C=CC3=CC=CC=C32)O)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)CC(=O)NCC2=C(C=CC3=CC=CC=C32)O)C(=O)O

InChI

InChI=1S/C18H16N2O4S/c1-10-17(18(23)24)25-16(20-10)8-15(22)19-9-13-12-5-3-2-4-11(12)6-7-14(13)21/h2-7,21H,8-9H2,1H3,(H,19,22)(H,23,24)