sodium; 2-azanyl-3-oxidanylidene-pentanoate; 3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-2,4-dimethyl-5-propan-2-yl-indole

Systemtic Name: sodium; 2-azanyl-3-oxidanylidene-pentanoate; 3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-2,4-dimethyl-5-propan-2-yl-indole Openeye Name: sodium; 2-amino-3-oxo-pentanoate; 3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-isopropyl-2,4-dimethyl-indole CAS Name: sodium; 2-amino-3-oxopentanoate; 3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-2,4-dimethyl-5-propan-2-ylindole IUPAC Name: sodium; 2-amino-3-oxopentanoate; 3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-2,4-dimethyl-5-propan-2-ylindole Traditional Name: sodium; 2-amino-3-keto-valerate; 3-(tert-butylthio)-1-(4-chlorobenzyl)-5-isopropyl-2,4-dimethyl-indole Formula: C29H38ClN2NaO3S MolecularWeight: 553.13139

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(=O)[O-])N.CC1=C(C=CC2=C1C(=C(N2CC3=CC=C(C=C3)Cl)C)SC(C)(C)C)C(C)C.[Na+]

Isomeric SMILES

CCC(=O)C(C(=O)[O-])N.CC1=C(C=CC2=C1C(=C(N2CC3=CC=C(C=C3)Cl)C)SC(C)(C)C)C(C)C.[Na+]

InChI

InChI=1S/C24H30ClNS.C5H9NO3.Na/c1-15(2)20-12-13-21-22(16(20)3)23(27-24(5,6)7)17(4)26(21)14-18-8-10-19(25)11-9-18;1-2-3(7)4(6)5(8)9;/h8-13,15H,14H2,1-7H3;4H,2,6H2,1H3,(H,8,9);/q;;+1/p-1