(6S)-2-[(5-bromanyl-2-methoxy-phenyl)methylideneamino]-N-cyclopropyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6S)-2-[(5-bromanyl-2-methoxy-phenyl)methylideneamino]-N-cyclopropyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-2-[(5-bromo-2-methoxy-phenyl)methyleneamino]-N-cyclopropyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-2-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-cyclopropyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-2-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-cyclopropyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-2-[(5-bromo-2-methoxy-benzylidene)amino]-N-cyclopropyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H25BrN2O2S MolecularWeight: 461.4151

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)NC3CC3)N=CC4=C(C=CC(=C4)Br)OC

Isomeric SMILES

CC[C@H]1CCC2=C(C1)SC(=C2C(=O)NC3CC3)N=CC4=C(C=CC(=C4)Br)OC

InChI

InChI=1S/C22H25BrN2O2S/c1-3-13-4-8-17-19(10-13)28-22(20(17)21(26)25-16-6-7-16)24-12-14-11-15(23)5-9-18(14)27-2/h5,9,11-13,16H,3-4,6-8,10H2,1-2H3,(H,25,26)/t13-/m0/s1