3-ethoxy-4-[(4-methylsulfanylphenyl)amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-ethoxy-4-[(4-methylsulfanylphenyl)amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-ethoxy-4-(4-methylsulfanylanilino)cyclobut-3-ene-1,2-dione CAS Name: 3-ethoxy-4-[4-(methylthio)anilino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-ethoxy-4-(4-methylsulfanylanilino)cyclobut-3-ene-1,2-dione Traditional Name: 3-ethoxy-4-[4-(methylthio)anilino]cyclobut-3-ene-1,2-quinone Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=O)C1=O)NC2=CC=C(C=C2)SC

Isomeric SMILES

CCOC1=C(C(=O)C1=O)NC2=CC=C(C=C2)SC

InChI

InChI=1S/C13H13NO3S/c1-3-17-13-10(11(15)12(13)16)14-8-4-6-9(18-2)7-5-8/h4-7,14H,3H2,1-2H3