8-[[4-(2-methoxy-2-oxidanylidene-ethyl)sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[4-(2-methoxy-2-oxidanylidene-ethyl)sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-(2-methoxy-2-oxo-ethyl)sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[4-[(2-methoxy-2-oxoethyl)thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-(2-methoxy-2-oxoethyl)sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[(2-keto-2-methoxy-ethyl)thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C21H17NO5S MolecularWeight: 395.42838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=CC=C(C=C1)NC(=O)C2=CC=CC3=C2C(=CC=C3)C(=O)O

Isomeric SMILES

COC(=O)CSC1=CC=C(C=C1)NC(=O)C2=CC=CC3=C2C(=CC=C3)C(=O)O

InChI

InChI=1S/C21H17NO5S/c1-27-18(23)12-28-15-10-8-14(9-11-15)22-20(24)16-6-2-4-13-5-3-7-17(19(13)16)21(25)26/h2-11H,12H2,1H3,(H,22,24)(H,25,26)