(6R)-6-tert-butyl-2-[(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6R)-6-tert-butyl-2-[(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6R)-6-tert-butyl-2-[(3-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-N-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6R)-6-tert-butyl-2-[(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6R)-6-tert-butyl-2-[(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6R)-6-tert-butyl-2-[(3-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]-N-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C28H32N2O3S MolecularWeight: 476.63028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CNC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)NC4=CC=CC=C4)C=CC1=O

Isomeric SMILES

CCOC1=CC(=CNC2=C(C3=C(S2)C[C@@H](CC3)C(C)(C)C)C(=O)NC4=CC=CC=C4)C=CC1=O

InChI

InChI=1S/C28H32N2O3S/c1-5-33-23-15-18(11-14-22(23)31)17-29-27-25(26(32)30-20-9-7-6-8-10-20)21-13-12-19(28(2,3)4)16-24(21)34-27/h6-11,14-15,17,19,29H,5,12-13,16H2,1-4H3,(H,30,32)/t19-/m1/s1