ethyl (3aS,4S,7aR)-7-(1,3-dithiolan-2-ylidene)-6-oxidanylidene-7a-phenyl-4-thiophen-2-yl-4,5-dihydro-1,3-benzoxazole-3a-carboxylate

Systemtic Name: ethyl (3aS,4S,7aR)-7-(1,3-dithiolan-2-ylidene)-6-oxidanylidene-7a-phenyl-4-thiophen-2-yl-4,5-dihydro-1,3-benzoxazole-3a-carboxylate Openeye Name: ethyl (3aS,4S,7aR)-7-(1,3-dithiolan-2-ylidene)-6-oxo-7a-phenyl-4-(2-thienyl)-4,5-dihydro-1,3-benzoxazole-3a-carboxylate CAS Name: (3aS,4S,7aR)-7-(1,3-dithiolan-2-ylidene)-6-oxo-7a-phenyl-4-thiophen-2-yl-4,5-dihydro-1,3-benzoxazole-3a-carboxylic acid ethyl ester IUPAC Name: ethyl (3aS,4S,7aR)-7-(1,3-dithiolan-2-ylidene)-6-oxo-7a-phenyl-4-thiophen-2-yl-4,5-dihydro-1,3-benzoxazole-3a-carboxylate Traditional Name: (3aS,4S,7aR)-7-(1,3-dithiolan-2-ylidene)-6-keto-7a-phenyl-4-(2-thienyl)-4,5-dihydro-1,3-benzoxazole-3a-carboxylic acid ethyl ester Formula: C23H21NO4S3 MolecularWeight: 471.61214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12C(CC(=O)C(=C3SCCS3)C1(OC=N2)C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CCOC(=O)[C@]12[C@H](CC(=O)C(=C3SCCS3)[C@]1(OC=N2)C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C23H21NO4S3/c1-2-27-21(26)22-16(18-9-6-10-29-18)13-17(25)19(20-30-11-12-31-20)23(22,28-14-24-22)15-7-4-3-5-8-15/h3-10,14,16H,2,11-13H2,1H3/t16-,22-,23-/m1/s1