ethyl 6-tert-butyl-2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-tert-butyl-2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[[(1R,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzothiophene-3-carboxylic acid ethyl ester Formula: C25H26ClNO3S MolecularWeight: 455.99684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2)C(C)(C)C)NC(=O)C3CC3C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2)C(C)(C)C)NC(=O)[C@@H]3C[C@@H]3C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H26ClNO3S/c1-5-30-24(29)21-17-11-8-15(25(2,3)4)12-20(17)31-23(21)27-22(28)19-13-18(19)14-6-9-16(26)10-7-14/h6-12,18-19H,5,13H2,1-4H3,(H,27,28)/t18-,19-/m1/s1