(6S)-2-[(4-cyano-2-fluoranyl-phenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6S)-2-[(4-cyano-2-fluoranyl-phenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-2-[(4-cyano-2-fluoro-benzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-2-[[(4-cyano-2-fluorophenyl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-2-[(4-cyano-2-fluorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-2-[(4-cyano-2-fluoro-benzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H16FN3O2S MolecularWeight: 357.401943

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C=C(C=C3)C#N)F

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C18H16FN3O2S/c1-9-2-4-12-14(6-9)25-18(15(12)16(21)23)22-17(24)11-5-3-10(8-20)7-13(11)19/h3,5,7,9H,2,4,6H2,1H3,(H2,21,23)(H,22,24)/t9-/m0/s1