(6S,7aR)-2-azanylidene-6-tert-butyl-N-(2-chloranyl-5-nitro-phenyl)-5,6,7,7a-tetrahydro-4H-1-benzothiophene-3-carboxamide

Systemtic Name: (6S,7aR)-2-azanylidene-6-tert-butyl-N-(2-chloranyl-5-nitro-phenyl)-5,6,7,7a-tetrahydro-4H-1-benzothiophene-3-carboxamide Openeye Name: (6S,7aR)-6-tert-butyl-N-(2-chloro-5-nitro-phenyl)-2-imino-5,6,7,7a-tetrahydro-4H-benzothiophene-3-carboxamide CAS Name: (6S,7aR)-6-tert-butyl-N-(2-chloro-5-nitrophenyl)-2-imino-5,6,7,7a-tetrahydro-4H-1-benzothiophene-3-carboxamide IUPAC Name: (6S,7aR)-6-tert-butyl-N-(2-chloro-5-nitrophenyl)-2-imino-5,6,7,7a-tetrahydro-4H-1-benzothiophene-3-carboxamide Traditional Name: (6S,7aR)-6-tert-butyl-N-(2-chloro-5-nitro-phenyl)-2-imino-5,6,7,7a-tetrahydro-4H-benzothiophene-3-carboxamide Formula: C19H22ClN3O3S MolecularWeight: 407.91428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C(=N)SC2C1)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C(=N)S[C@@H]2C1)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H22ClN3O3S/c1-19(2,3)10-4-6-12-15(8-10)27-17(21)16(12)18(24)22-14-9-11(23(25)26)5-7-13(14)20/h5,7,9-10,15,21H,4,6,8H2,1-3H3,(H,22,24)/t10-,15+/m0/s1