4-[[(6S)-6-tert-butyl-3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[(6S)-6-tert-butyl-3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(6S)-6-tert-butyl-3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[(6S)-6-tert-butyl-3-[(cyclopropylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[(6S)-6-tert-butyl-3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[(6S)-6-tert-butyl-3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-keto-butyrate Formula: C20H27N2O4S- MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3CC3)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C(=O)NC3CC3)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C20H28N2O4S/c1-20(2,3)11-4-7-13-14(10-11)27-19(22-15(23)8-9-16(24)25)17(13)18(26)21-12-5-6-12/h11-12H,4-10H2,1-3H3,(H,21,26)(H,22,23)(H,24,25)/p-1/t11-/m0/s1