3-[2-(3-azanyl-4-cyclohexyl-2-oxidanyl-butanoyl)hydrazinyl]-6,6-dimethyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylic acid

Systemtic Name: 3-[2-(3-azanyl-4-cyclohexyl-2-oxidanyl-butanoyl)hydrazinyl]-6,6-dimethyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylic acid Openeye Name: 3-[2-(3-amino-4-cyclohexyl-2-hydroxy-butanoyl)hydrazino]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid CAS Name: 3-[(3-amino-4-cyclohexyl-2-hydroxy-1-oxobutyl)hydrazo]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid IUPAC Name: 3-[2-(3-amino-4-cyclohexyl-2-hydroxybutanoyl)hydrazinyl]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid Traditional Name: 3-[N'-(3-amino-4-cyclohexyl-2-hydroxy-butanoyl)hydrazino]-4-keto-6,6-dimethyl-5,7-dihydroisobenzothiophene-1-carboxylic acid Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)NNC(=O)C(C(CC3CCCCC3)N)O)C(=O)O)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)NNC(=O)C(C(CC3CCCCC3)N)O)C(=O)O)C

InChI

InChI=1S/C21H31N3O5S/c1-21(2)9-12-15(14(25)10-21)19(30-17(12)20(28)29)24-23-18(27)16(26)13(22)8-11-6-4-3-5-7-11/h11,13,16,24,26H,3-10,22H2,1-2H3,(H,23,27)(H,28,29)