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

Systemtic Name: 8-[[4-(2-ethoxy-2-oxidanylidene-ethyl)sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-(2-ethoxy-2-oxo-ethyl)sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[4-[(2-ethoxy-2-oxoethyl)thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-(2-ethoxy-2-oxoethyl)sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[(2-ethoxy-2-keto-ethyl)thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C22H19NO5S MolecularWeight: 409.45496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO5S/c1-2-28-19(24)13-29-16-11-9-15(10-12-16)23-21(25)17-7-3-5-14-6-4-8-18(20(14)17)22(26)27/h3-12H,2,13H2,1H3,(H,23,25)(H,26,27)