N-[4-[2-(4-methyl-2-oxidanyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl)-2-oxidanylidene-ethyl]phenyl]-3-thiophen-2-yl-propanamide

Systemtic Name: N-[4-[2-(4-methyl-2-oxidanyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl)-2-oxidanylidene-ethyl]phenyl]-3-thiophen-2-yl-propanamide Openeye Name: N-[4-[2-(2-hydroxy-4-methyl-6-oxo-cyclohexa-1,3-dien-1-yl)-2-oxo-ethyl]phenyl]-3-(2-thienyl)propanamide CAS Name: N-[4-[2-(2-hydroxy-4-methyl-6-oxo-1-cyclohexa-1,3-dienyl)-2-oxoethyl]phenyl]-3-thiophen-2-ylpropanamide IUPAC Name: N-[4-[2-(2-hydroxy-4-methyl-6-oxocyclohexa-1,3-dien-1-yl)-2-oxoethyl]phenyl]-3-thiophen-2-ylpropanamide Traditional Name: N-[4-[2-(2-hydroxy-6-keto-4-methyl-cyclohexa-1,3-dien-1-yl)-2-keto-ethyl]phenyl]-3-(2-thienyl)propionamide Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)C1)C(=O)CC2=CC=C(C=C2)NC(=O)CCC3=CC=CS3)O

Isomeric SMILES

CC1=CC(=C(C(=O)C1)C(=O)CC2=CC=C(C=C2)NC(=O)CCC3=CC=CS3)O

InChI

InChI=1S/C22H21NO4S/c1-14-11-18(24)22(19(25)12-14)20(26)13-15-4-6-16(7-5-15)23-21(27)9-8-17-3-2-10-28-17/h2-7,10-11,24H,8-9,12-13H2,1H3,(H,23,27)