4-(3-ethoxy-4-oxidanyl-phenyl)-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

Systemtic Name: 4-(3-ethoxy-4-oxidanyl-phenyl)-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione Openeye Name: 4-(3-ethoxy-4-hydroxy-phenyl)-7-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione CAS Name: 4-(3-ethoxy-4-hydroxyphenyl)-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione IUPAC Name: 4-(3-ethoxy-4-hydroxyphenyl)-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione Traditional Name: 4-(3-ethoxy-4-hydroxy-phenyl)-7-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-quinone Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2CC(=O)NC3=C2C(=O)CC(C3)C4=CC=CS4)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2CC(=O)NC3=C2C(=O)CC(C3)C4=CC=CS4)O

InChI

InChI=1S/C21H21NO4S/c1-2-26-18-10-12(5-6-16(18)23)14-11-20(25)22-15-8-13(9-17(24)21(14)15)19-4-3-7-27-19/h3-7,10,13-14,23H,2,8-9,11H2,1H3,(H,22,25)