4-[6-azanyl-2,2,7-trimethyl-3-(sulfanylmethyl)-3,4-dihydroquinolin-1-yl]butane-1,2-diol

Systemtic Name: 4-[6-azanyl-2,2,7-trimethyl-3-(sulfanylmethyl)-3,4-dihydroquinolin-1-yl]butane-1,2-diol Openeye Name: 4-[6-amino-2,2,7-trimethyl-3-(sulfanylmethyl)-3,4-dihydroquinolin-1-yl]butane-1,2-diol CAS Name: 4-[6-amino-3-(mercaptomethyl)-2,2,7-trimethyl-3,4-dihydroquinolin-1-yl]butane-1,2-diol IUPAC Name: 4-[6-amino-2,2,7-trimethyl-3-(sulfanylmethyl)-3,4-dihydroquinolin-1-yl]butane-1,2-diol Traditional Name: 4-[6-amino-3-(mercaptomethyl)-2,2,7-trimethyl-3,4-dihydroquinolin-1-yl]butane-1,2-diol Formula: C17H28N2O2S MolecularWeight: 324.48142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CC(C(N(C2=C1)CCC(CO)O)(C)C)CS)N

Isomeric SMILES

CC1=C(C=C2CC(C(N(C2=C1)CCC(CO)O)(C)C)CS)N

InChI

InChI=1S/C17H28N2O2S/c1-11-6-16-12(8-15(11)18)7-13(10-22)17(2,3)19(16)5-4-14(21)9-20/h6,8,13-14,20-22H,4-5,7,9-10,18H2,1-3H3